The potential for dosing anticancer target molecules of silica nanoparticles with ordered mesoporosity (SiMONPs), 28 nm in diameter and surface area of 706 m2/g, was evaluated by the loading and release of carvacrol, chloroquine, and rhodamine-B. The ligand–protein interaction (BRAF oncogene) was determined by docking. The fine structure of the SiMONPs with nanometric porosity allowed a slow and progressive release according to the passive diffusion mechanism. The most favorable anticancer interaction was displayed by carvacrol with a ligand efficiency value of −6.7 kcal/mol. At the same time, chloroquine and rhodamine-B had values of −5.0 kcal/mol and −3.4 kcal/mol, severally. The target displayed a “preference” to interact first with the SiMONPs rather than with carvacrol. The material could be dosed at 0.0009 mg/h for a week under PBS medium conditions, so the material resulted suitable for dosing and controlling the growth of skin cancer cells.