SCHEMBL25246751

SCHEMBL25246751

Cc1cc(N2CCc3cc(F)ccc3C2)cc(SC2CC2)c1NC(=O)CC(C)(C)C

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 20/20 0.78
▸ KCNQ3 O43525 1/20 0.50

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
SCHEMBL30487371 1.00 KCNQ2 (0.78) KCNQ2KCNQ3
SCHEMBL25286314 0.90 KCNQ2 (0.65) KCNQ2KCNQ3
SCHEMBL25286333 0.90 KCNQ2 (0.84) KCNQ2KCNQ3
Azetukalner SCHEMBL30429530 0.88 KCNQ2 (1.00) KCNQ2KCNQ3
Azetukalner SCHEMBL1000065 0.88 KCNQ2 (1.00) KCNQ2KCNQ3
SCHEMBL25245462 0.88 KCNQ2 (0.81) KCNQ2KCNQ3
SCHEMBL30487376 0.88 KCNQ2 (0.81) KCNQ2KCNQ3
SCHEMBL30487434 0.87 KCNQ2 (0.80) KCNQ2KCNQ3
SCHEMBL31546534 0.86 KCNQ2 (0.78) KCNQ2KCNQ3
SCHEMBL25245027 0.85 KCNQ2 (0.82) KCNQ2KCNQ3

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
WO-2023125935-A1 BENZOPYRIDINE DERIVATIVE REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-07-06 — — WO disclosed
WO-2023125935-A1 BENZOPYRIDINE DERIVATIVE REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-07-06 — — WO disclosed
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