SCHEMBL8423622

SCHEMBL8423622

N#Cc1ccc(Cn2cncc2CCNC(=O)C2CCCN(S(=O)(=O)Cc3ccccc3)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
FNTA P49354 12/20 0.55
FNTB P49356 12/20 0.55
PGGT1B P53609 11/20 0.55
KCNH2 Q12809 1/20 0.49
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47

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
SCHEMBL8103587 1.00 ALDH1A1 (0.57) ALDH1A1FNTAFNTBPGGT1BKCNH2
SCHEMBL8104389 1.00 ALDH1A1 (0.57) ALDH1A1FNTAFNTBPGGT1BKCNH2
SCHEMBL6003187 0.91 FNTA (0.55) ALDH1A1FNTAFNTBPGGT1BKCNH2
SCHEMBL8436859 0.91 FNTA (0.55) ALDH1A1FNTAFNTBPGGT1BKCNH2
SCHEMBL8097870 0.88 CYP11B1 (0.53) ALDH1A1FNTAFNTBPGGT1BCYP11B1
SCHEMBL8534851 0.88 CYP11B1 (0.53) ALDH1A1FNTAFNTBPGGT1BCYP11B1
SCHEMBL8095394 0.87 FNTA (0.60) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8097798 0.86 FNTA (0.49) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL5306125 0.85 FNTA (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8607820 0.85 FNTA (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2

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-0862435-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 EP claimed
EP-0862435-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-09-09 EP claimed
WO-1997018813-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-05-29 WO claimed
EP-0862435-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 EP disclosed
US-5817678-A IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC MERCK & CO., INC. (US) 1998-10-06 US disclosed
EP-0862435-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-09-09 EP disclosed
WO-1997018813-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-05-29 WO disclosed