SCHEMBL29095062

SCHEMBL29095062

CCC(C(=O)O)c1ccccc1NC(=O)c1cc2ccncc2c(-c2cccc(CN)c2)n1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 11/20 0.70
▸ F11 P03951 1/20 0.37
▸ TPSB2 P20231 1/20 0.37
▸ SUCNR1 Q9BXA5 1/20 0.37
▸ ROCK2 O75116 1/20 0.35
▸ PLAU P00749 2/20 0.35
▸ PLG P00747 1/20 0.35
▸ PLAT P00750 1/20 0.35
▸ TRPV1 Q8NER1 3/20 0.35
▸ NAMPT P43490 1/20 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
SCHEMBL29095029 0.86 CFD (0.52) CFDNAMPT
SCHEMBL23607756 0.83 CFD (0.51) CFDF11TPSB2SUCNR1PLAU
SCHEMBL21455332 0.82 CFD (1.00) CFDF11TPSB2SUCNR1PLAU
SCHEMBL25879649 0.81 CFD (0.85) CFDF11TPSB2SUCNR1NAMPT
SCHEMBL21455336 0.80 CFD (0.79) CFDF11TPSB2SUCNR1ROCK2
SCHEMBL29095112 0.76 ALDH1A1 (0.43) CFDF11TPSB2SUCNR1PLAU
SCHEMBL25879654 0.75 CFD (0.72) CFDF11TPSB2SUCNR1TRPV1
SCHEMBL25879656 0.71 CFD (0.53) CFD
SCHEMBL29095046 0.71 CFD (0.50) CFDF11TPSB2SUCNR1
SCHEMBL29095070 0.70 CFD (0.72) CFDF11TPSB2SUCNR1PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117164499-A Substituted benzofurans, benzopyrroles, benzothiophenes and structurally related complement inhibitors 拜奥克里斯特制药公司 2023-12-05 — — CN disclosed
CN-112272553-B Substituted benzofurans, benzopyrroles, benzothiophenes and structurally related complement inhibitors 拜奥克里斯特制药公司 2023-09-22 — — CN disclosed
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