SCHEMBL3845496

SCHEMBL3845496

N#Cc1ccc(CC(c2cnc[nH]2)N2CCN(c3cccc(Cl)c3)CC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.53
FNTB P49356 15/20 0.53
PGGT1B P53609 3/20 0.44
NRAS P01111 1/20 0.44
HRAS P01112 1/20 0.44
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
KCNH2 Q12809 2/20 0.36
CYP3A4 P08684 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CYP19A1 P11511 1/20 0.36

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 SCHEMBL7528885 0.99 FNTA (0.53) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7845880 0.88 FNTA (0.49) FNTAFNTBPGGT1BNRASHRAS
Hydrochloric Acid SCHEMBL7840097 0.87 FNTA (0.48) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7836006 0.85 FNTA (0.53) FNTAFNTBPGGT1BNRASHRAS
Hydrochloric Acid SCHEMBL7812762 0.85 FNTA (0.47) FNTAFNTBPGGT1BNRASHRAS
Hydrochloric Acid SCHEMBL7838781 0.84 FNTA (0.52) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL1683543 0.83 FNTA (0.53) FNTAFNTBPGGT1BNRASHRAS
Water SCHEMBL7194386 0.83 FNTA (0.53) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7972250 0.83 FNTA (0.53) FNTAFNTBPGGT1BNRASHRAS
Hydrochloric Acid SCHEMBL7195545 0.82 FNTA (0.53) FNTAFNTBPGGT1BNRASHRAS

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-0900081-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-01-09 EP claimed
EP-0900081-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-03-10 EP claimed
WO-1997036591-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO claimed
EP-1427418-B1 PIPERAZINONE COMPOUNDS AS ANTI-TUMOR AND ANTI-CANCER AGENTS UNIV YALE (US) 2009-11-11 EP disclosed
EP-0900081-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-01-09 EP disclosed
EP-0900081-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-03-10 EP disclosed
WO-1997036591-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed