SCHEMBL8520145

SCHEMBL8520145

COC(=O)CNCc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.74
CYP11B2 P19099 12/20 0.74
FNTA P49354 4/20 0.53
FNTB P49356 4/20 0.53
CYP19A1 P11511 1/20 0.53
PGGT1B P53609 2/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7086608 0.87 CYP11B1 (0.79) CYP11B1CYP11B2FNTAFNTBCYP19A1
SCHEMBL3825172 0.85 CYP11B1 (1.00) CYP11B1CYP11B2FNTAFNTBCYP19A1
SCHEMBL8677989 0.81 CYP11B1 (0.70) CYP11B1CYP11B2FNTAFNTBCYP19A1
SCHEMBL5346390 0.79 LOXL2 (0.53) CYP11B1CYP11B2CYP19A1
SCHEMBL8132740 0.78 CYP11B1 (0.58) CYP11B1CYP11B2FNTAFNTBCYP19A1
SCHEMBL6366103 0.78 CYP11B1 (0.79) CYP11B1CYP11B2FNTAFNTBCYP19A1
SCHEMBL3824590 0.77 CYP11B1 (1.00) CYP11B1CYP11B2FNTAFNTBCYP19A1
SCHEMBL7259741 0.77 FNTA (0.61) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL2786255 0.77 CYP11B1 (0.71) CYP11B1CYP11B2FNTAFNTBCYP19A1
Bromide SCHEMBL3625451 0.77 CYP11B1 (0.77) CYP11B1CYP11B2FNTAFNTBCYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919785-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-07-06 US disclosed