SCHEMBL29095139

SCHEMBL29095139

CC(=O)OCCc1ccccc1OCc1nc(-c2cccc(CN)c2)c2ccn(CC3CC3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 10/20 0.40
▸ F11 P03951 4/20 0.39
▸ TPSB2 P20231 3/20 0.39
▸ PLAU P00749 2/20 0.39
▸ KLKB1 P03952 2/20 0.39
▸ PLG P00747 1/20 0.39
▸ F7 P08709 1/20 0.39
▸ AVPR1B P47901 1/20 0.33
▸ ICMT O60725 2/20 0.32
▸ CTSS P25774 2/20 0.32
▸ ACACB O00763 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ACACA Q13085 1/20 0.32
▸ MERTK Q12866 1/20 0.32
▸ MDM2 Q00987 1/20 0.31

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
SCHEMBL21437634 0.87 CFD (0.54) CFDF11TPSB2PLAUKLKB1
SCHEMBL21438097 0.87 CFD (0.55) CFDF11TPSB2PLAUKLKB1
SCHEMBL29095073 0.83 CFD (0.47) CFDF11TPSB2KLKB1AVPR1B
SCHEMBL21439364 0.76 CFD (0.42) CFDCTSSACACBCYP1A2CYP3A4
SCHEMBL29095188 0.73 MERTK (0.37) ICMTCTSSACACBMERTKMDM2
SCHEMBL21437422 0.71 CFD (0.50) CFDF11TPSB2KLKB1AVPR1B
SCHEMBL21438626 0.70 CFD (0.62) CFDF11TPSB2PLAUKLKB1
SCHEMBL28736702 0.69 CFD (0.48) CFDF11TPSB2PLAUKLKB1
SCHEMBL21439224 0.68 CFD (0.55) CFDF11TPSB2PLAUKLKB1
SCHEMBL29116753 0.68 CFD (0.56) CFDF11TPSB2PLAUKLKB1

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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