SCHEMBL7822832

SCHEMBL7822832

CS(=O)(=O)CC[C@@]1(Cc2cccc(Cl)c2)CNC(=O)N1C(Cc1ccc(C#N)cc1)c1cnc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.38
FNTB P49356 11/20 0.38
MAPK1 P28482 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
PGGT1B P53609 3/20 0.34
KCNH2 Q12809 2/20 0.34
NRAS P01111 1/20 0.34
HRAS P01112 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP19A1 P11511 2/20 0.34

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 SCHEMBL7805191 0.76 FNTA (0.39) FNTAFNTBMAPK1PGGT1BKCNH2
SCHEMBL3684995 0.74 FNTA (0.56) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL3685883 0.74 FNTA (0.56) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL3501299 0.74 FNTA (0.56) FNTAFNTBPGGT1BNRASHRAS
Hydrochloric Acid SCHEMBL9082057 0.73 FNTA (0.55) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7845880 0.72 FNTA (0.49) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7836006 0.71 FNTA (0.53) FNTAFNTBPGGT1BKCNH2NRAS
Hydrochloric Acid SCHEMBL7840097 0.71 FNTA (0.48) FNTAFNTBPGGT1BNRASHRAS
Hydrochloric Acid SCHEMBL7812762 0.71 FNTA (0.47) FNTAFNTBPGGT1BKCNH2NRAS
Hydrochloric Acid SCHEMBL7838781 0.71 FNTA (0.52) FNTAFNTBPGGT1BKCNH2NRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891353-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-08 EP claimed
EP-0891353-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP claimed
WO-1997036892-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO claimed