SCHEMBL8149609

SCHEMBL8149609

N#Cc1cc(Cc2cncn2Cc2ccc(-n3cc(Cl)ccc3=O)nc2)ccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
FNTA P49354 5/20 0.39
FNTB P49356 5/20 0.39
PGGT1B P53609 4/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
CNR1 P21554 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL8149630 0.94 CYP19A1 (0.40) CYP19A1FNTAFNTBPGGT1B
SCHEMBL8151360 0.90 CYP19A1 (0.42) CYP19A1FNTAFNTBPGGT1B
SCHEMBL8157261 0.89 FNTA (0.39) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8155427 0.86 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8151571 0.83 CYP11B1 (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8150556 0.83 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8009897 0.83 CYP11B1 (0.49) CYP19A1FNTAFNTBPGGT1BCYP11B1
SCHEMBL8157269 0.82 CYP11B1 (0.39) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8154241 0.82 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL8151756 0.82 CYP11B1 (0.50) CYP19A1FNTAFNTBPGGT1BCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0951285-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-10-27 EP claimed
WO-1998029119-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 WO claimed
US-6077853-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 2000-06-20 US disclosed
EP-0951285-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-10-27 EP disclosed
WO-1998029119-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 WO disclosed