SCHEMBL9664941

SCHEMBL9664941

CC(=O)Nc1ccc(C(C)n2ccnc2)cc1N

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 3/20 0.47
CYP17A1 P05093 8/20 0.46
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 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
SCHEMBL10699600 0.83 CYP26A1 (0.52) CYP26A1CYP17A1CYP11B1CYP11B2
SCHEMBL10581927 0.81 MAPT (0.48) CYP26A1CYP17A1MAPTKMT2A
SCHEMBL9664721 0.81 CYP26A1 (0.48) CYP26A1CYP17A1CYP11B1CYP11B2
SCHEMBL9662998 0.78 CYP17A1 (0.58) CYP26A1CYP17A1CYP11B1CYP11B2
SCHEMBL10696926 0.75 CYP26A1 (0.53) CYP26A1CYP17A1CYP11B1CYP11B2
SCHEMBL9663855 0.72 CYP11B1 (0.50) CYP11B1CYP11B2NPC1
SCHEMBL10697674 0.72 CYP17A1 (0.52) CYP26A1CYP17A1CYP11B1CYP11B2
SCHEMBL9664044 0.72 CYP17A1 (0.66) CYP26A1CYP17A1CYP11B1CYP11B2
SCHEMBL9662810 0.72 CYP17A1 (0.57) CYP26A1CYP17A1CYP11B1CYP11B2
SCHEMBL10582410 0.71 MAPT (0.46) CYP26A1CYP17A1CYP11B1CYP11B2MAPT

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
CN-1020903-C (1H-IMIDAZOL-1-YLMETHYL) SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THE PREPARATION THEREFOR JANSSEN PHARMACEUTICA NV (BE) 1993-05-26 CN disclosed
EP-0260744-B1 (1H-IMIDAZOL-1-YLMETHYL) SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP disclosed
US-4859684-A (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives and use thereof in treating androgen dependent disorders JANSSEN PHARMACEUTICA N.V. (BE) 1989-08-22 US disclosed
CN-87106423-A Novel (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives and process for their preparation 1988-04-20 CN disclosed
EP-0260744-A2 (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-03-23 EP disclosed