SCHEMBL31378486

SCHEMBL31378486

Cn1ncc2cc(-c3ccccc3C(=O)O)ccc21

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.59
▸ CCNC P24863 4/20 0.53
▸ CDK8 P49336 4/20 0.53
▸ AR P10275 5/20 0.52
▸ CREBBP Q92793 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ POLQ O75417 1/20 0.45
▸ BRD4 O60885 1/20 0.45
▸ ALOX5AP P20292 1/20 0.43
▸ USP7 Q93009 1/20 0.43
▸ AGTR1 P30556 1/20 0.43
▸ AGTR2 P50052 1/20 0.43

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
SCHEMBL29743703 0.89 CCNC (0.49) TRPA1CCNCCDK8ARALDH1A1
SCHEMBL4662634 0.81 TRPA1 (0.55) TRPA1CCNCCDK8ARCREBBP
SCHEMBL30549500 0.80 TRPA1 (0.64) TRPA1CCNCCDK8ARCREBBP
Hydrochloric Acid SCHEMBL30549506 0.79 TRPA1 (0.63) TRPA1CCNCCDK8ARCREBBP
SCHEMBL25212765 0.78 AR (0.51) TRPA1CCNCCDK8ARCREBBP
SCHEMBL18015720 0.78 TRPA1 (0.61) TRPA1CCNCCDK8ARCREBBP
SCHEMBL23638931 0.78 TRPA1 (0.60) TRPA1CCNCCDK8ARCREBBP
SCHEMBL23164615 0.77 CREBBP (0.52) TRPA1CCNCCDK8ARCREBBP
SCHEMBL30394909 0.77 CREBBP (0.52) TRPA1CCNCCDK8ARCREBBP
SCHEMBL29627189 0.77 CREBBP (0.52) TRPA1CCNCCDK8ARCREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114466844-B N- (1H-imidazol-2-yl) benzamide compound and pharmaceutical composition comprising same as active ingredient 康佳诺医疗科技发展有限公司 2025-02-18 — — CN disclosed
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