SCHEMBL29095013

SCHEMBL29095013

CC(=O)OCCc1ccccc1NC(=O)c1nc2c(c(-c3cccc(CN)c3)n1)COC2

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 13/20 0.74
▸ F11 P03951 1/20 0.40
▸ TPSB2 P20231 1/20 0.40
▸ SUCNR1 Q9BXA5 1/20 0.40
▸ PLAU P00749 2/20 0.34
▸ ABCB1 P08183 2/20 0.33
▸ MAPT P10636 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ PLG P00747 1/20 0.32
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32

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
SCHEMBL21437502 0.86 CFD (0.79) CFDF11TPSB2SUCNR1PLAU
SCHEMBL21438100 0.85 CFD (1.00) CFDF11TPSB2SUCNR1PLAU
SCHEMBL29095073 0.79 CFD (0.47) CFDF11TPSB2SUCNR1
SCHEMBL21455913 0.74 CFD (0.53) CFDF11TPSB2SUCNR1MAPT
SCHEMBL21455634 0.73 CFD (0.60) CFDSUCNR1
SCHEMBL29095076 0.69 CFD (0.49) CFDF11TPSB2SUCNR1ABCB1
SCHEMBL21437375 0.67 CFD (0.57) CFDF11TPSB2SUCNR1MAPT
SCHEMBL21438636 0.66 CFD (0.64) CFDF11TPSB2SUCNR1PLAU
SCHEMBL21437920 0.66 CFD (0.51) CFDF11TPSB2SUCNR1PLAU
SCHEMBL21437540 0.66 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
Send feedback