SCHEMBL21438042

SCHEMBL21438042

O=C(O)NCc1cccc(-c2nc(CO)nc3c2ccn3CC2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AVPR1B P47901 7/20 0.39
▸ MERTK Q12866 1/20 0.38
▸ MDM2 Q00987 2/20 0.38
▸ MMP13 P45452 9/20 0.37
▸ CNR1 P21554 1/20 0.35
▸ MMP3 P08254 1/20 0.35

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
SCHEMBL21437663 0.88 MDM2 (0.42) AVPR1BMERTKMDM2MMP13CNR1
SCHEMBL21438114 0.87 ACACB (0.43) —
SCHEMBL21437211 0.82 MDM2 (0.42) AVPR1BMDM2MMP13MMP3
SCHEMBL21437212 0.81 AVPR1B (0.37) AVPR1BMERTKMDM2MMP13MMP3
SCHEMBL21455901 0.76 MDM2 (0.45) MDM2
SCHEMBL21437980 0.75 ACACB (0.43) MDM2
SCHEMBL21455903 0.74 BRD4 (0.41) MDM2
SCHEMBL21437626 0.73 BRD4 (0.41) MDM2
SCHEMBL21437634 0.72 CFD (0.54) —
SCHEMBL21438902 0.71 AOC3 (0.38) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112272553-A Substituted benzofurans, benzopyrrole, benzothiophenes and structurally related complement inhibitors 拜奥克里斯特制药公司 2021-01-26 — — CN disclosed
EP-3687506-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2020-08-05 — — EP disclosed
WO-2019195720-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2019-10-10 — — WO disclosed
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