SCHEMBL7920924

SCHEMBL7920924

N#Cc1ccc(Cc2cnc(Cc3ccc(-c4ccccc4)nc3)[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 7/20 0.57
CYP11B1 P15538 10/20 0.48
CYP11B2 P19099 9/20 0.48
CYP3A4 P08684 1/20 0.43
HPGDS O60760 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CYP19A1 P11511 1/20 0.40

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 SCHEMBL8574891 0.99 BRS3 (0.56) BRS3CYP11B1CYP11B2CYP3A4HPGDS
SCHEMBL7919393 0.89 BRS3 (0.62) BRS3CYP11B1CYP11B2HPGDSHRH3
Hydrochloric Acid SCHEMBL8521500 0.88 BRS3 (0.61) BRS3CYP11B1CYP11B2HPGDSHRH3
SCHEMBL7912541 0.87 BRS3 (0.51) BRS3CYP11B1HRH3
SCHEMBL7919761 0.86 BRS3 (0.57) BRS3CYP11B1HRH3
SCHEMBL8309107 0.82 BRS3 (0.46) BRS3CYP11B1CYP11B2HPGDSHRH3
SCHEMBL8309756 0.82 BRS3 (0.53) BRS3CYP11B1CYP11B2HRH3CYP19A1
SCHEMBL7453578 0.82 BRS3 (0.43) BRS3
SCHEMBL8107106 0.82 BRS3 (0.51) BRS3CYP11B1CYP11B2HRH3
SCHEMBL7924356 0.81 BRS3 (0.72) BRS3HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001524079-A 2001-11-27 JP claimed
EP-0973396-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP claimed
EP-0973396-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-01-26 EP claimed
EP-0891361-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP claimed
WO-1998044797-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-10-15 WO claimed
WO-1997036901-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO claimed
EP-0891361-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036901-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed