SCHEMBL29095076

SCHEMBL29095076

CC(=O)OCCc1ccccc1NC(=O)c1cc(-c2cccc(CN)c2)c2c(c1)nc(C)n2C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 13/20 0.49
▸ SUCNR1 Q9BXA5 4/20 0.43
▸ F11 P03951 1/20 0.43
▸ TPSB2 P20231 1/20 0.43
▸ ABL1 P00519 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ ABCB1 P08183 1/20 0.36

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
SCHEMBL30358704 0.87 CFD (0.54) CFDSUCNR1F11TPSB2ABL1
SCHEMBL21439740 0.87 CFD (0.54) CFDSUCNR1F11TPSB2ABL1
SCHEMBL21439249 0.86 CFD (0.65) CFDSUCNR1F11TPSB2
SCHEMBL29095093 0.79 CFD (0.46) CFDSUCNR1F11TPSB2ABL1
SCHEMBL29095013 0.69 CFD (0.74) CFDSUCNR1F11TPSB2ABL1
SCHEMBL21437787 0.69 CFD (0.60) CFDSUCNR1F11TPSB2
SCHEMBL21437756 0.68 CFD (0.81) CFDSUCNR1F11TPSB2MAPT
SCHEMBL30358699 0.68 CFD (0.81) CFDSUCNR1F11TPSB2MAPT
SCHEMBL29095073 0.68 CFD (0.47) CFDSUCNR1F11TPSB2
SCHEMBL21439652 0.67 CFD (0.56) CFDSUCNR1F11TPSB2

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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