SCHEMBL21437663

SCHEMBL21437663

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 2/20 0.42
▸ AVPR1B P47901 4/20 0.39
▸ MMP13 P45452 4/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.38
▸ CNR1 P21554 1/20 0.36
▸ TARS1 P26639 1/20 0.35
▸ MC4R P32245 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MERTK Q12866 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
SCHEMBL21438042 0.88 AVPR1B (0.39) MDM2AVPR1BMMP13CNR1MERTK
SCHEMBL21437980 0.87 ACACB (0.43) MDM2
SCHEMBL21437211 0.83 MDM2 (0.42) MDM2AVPR1BMMP13
SCHEMBL21437212 0.82 AVPR1B (0.37) MDM2AVPR1BMMP13MERTK
SCHEMBL21455901 0.77 MDM2 (0.45) MDM2
SCHEMBL21438114 0.75 ACACB (0.43) —
SCHEMBL21438631 0.75 L3MBTL1 (0.39) TARS1KMT2A
SCHEMBL21437718 0.72 ESR1 (0.39) TARS1KMT2A
SCHEMBL21438003 0.72 CFD (0.47) TARS1KMT2A
SCHEMBL29095188 0.71 MERTK (0.37) MDM2MERTK

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 5 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
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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