SCHEMBL8107919

SCHEMBL8107919

COc1cccc(-n2ccc(Cn3cncc3Cc3ccc(C#N)cc3)cc2=O)n1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.44
FNTB P49356 6/20 0.44
CYP11B1 P15538 5/20 0.44
CYP11B2 P19099 5/20 0.44
PGGT1B P53609 2/20 0.44

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
SCHEMBL8114057 0.89 FNTA (0.45) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8098833 0.87 FNTA (0.48) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8109998 0.83 FNTA (0.46) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8114048 0.83 FNTA (0.52) FNTAFNTBCYP11B1CYP11B2PGGT1B
Hydrochloric Acid SCHEMBL8107070 0.82 FNTA (0.51) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL448443 0.81 FNTA (0.54) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8108625 0.80 CYP11B1 (0.47) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL3501862 0.80 FNTA (0.59) FNTAFNTBPGGT1B
SCHEMBL8106993 0.80 CYP11B1 (0.48) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8107174 0.79 FNTA (0.42) FNTAFNTBCYP11B1CYP11B2PGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003374-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-05-31 EP claimed
EP-1003374-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-05-31 EP claimed
WO-1998028980-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 WO claimed
US-6093737-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 2000-07-25 US disclosed
EP-1003374-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-05-31 EP disclosed
EP-1003374-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-05-31 EP disclosed
WO-1998028980-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 WO disclosed