SCHEMBL8306479

SCHEMBL8306479

N#Cc1ccc(Cc2cncn2Cc2ccc(-c3ccsc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 14/20 0.57
CYP11B2 P19099 14/20 0.57
CYP19A1 P11511 1/20 0.50
FNTA P49354 2/20 0.49
FNTB P49356 2/20 0.49
CYP17A1 P05093 1/20 0.45

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
Hydrochloric Acid SCHEMBL8310145 0.99 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL5891934 0.84 CYP11B1 (0.64) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL5891899 0.84 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1FNTAFNTB
Hydrochloric Acid SCHEMBL8188315 0.83 CYP11B1 (0.67) CYP11B1CYP11B2CYP19A1FNTAFNTB
Hydrochloric Acid SCHEMBL8190888 0.83 CYP11B1 (0.62) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL5891885 0.83 CYP11B1 (0.71) CYP11B1CYP11B2CYP19A1FNTAFNTB
Hydrochloric Acid SCHEMBL8188656 0.82 CYP11B1 (0.70) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL5891741 0.81 CYP11B1 (0.58) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL8310070 0.80 CYP11B1 (0.55) CYP11B1CYP11B2CYP19A1FNTAFNTB
Hydrochloric Acid SCHEMBL8227737 0.80 CYP11B1 (0.57) CYP11B1CYP11B2CYP19A1FNTAFNTB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891343-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP claimed
WO-1997036886-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO claimed
EP-0891343-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036886-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed