SCHEMBL29095029

SCHEMBL29095029

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 1/20 0.52
▸ NAMPT P43490 5/20 0.41
▸ HDAC1 Q13547 1/20 0.39
▸ BRD4 O60885 2/20 0.37
▸ GLS O94925 2/20 0.36
▸ CYP3A4 P08684 4/20 0.36
▸ ACACB O00763 2/20 0.35
▸ ACACA Q13085 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CCKBR P32239 1/20 0.35
▸ CTSK P43235 1/20 0.34
▸ SCD O00767 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
SCHEMBL29095062 0.86 CFD (0.70) CFDNAMPT
SCHEMBL21455345 0.83 CFD (0.59) CFDNAMPTHDAC1BRD4GLS
SCHEMBL21455344 0.82 CFD (0.47) CFDNAMPTHDAC1BRD4GLS
SCHEMBL21455335 0.79 PPID (0.45) CFDNAMPTBRD4GLSCYP3A4
SCHEMBL21561820 0.76 NAMPT (0.43) CFDNAMPTBRD4GLSCYP3A4
SCHEMBL24299792 0.69 NAMPT (0.48) NAMPTHDAC1BRD4GLSCYP3A4
SCHEMBL21455332 0.69 CFD (1.00) CFD
SCHEMBL21455336 0.68 CFD (0.79) CFD
SCHEMBL301717 0.67 PRMT6 (0.56) NAMPTHDAC1BRD4GLSCYP3A4
SCHEMBL18664426 0.67 HDAC1 (0.60) HDAC1BRD4GLSCTSK

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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