SCHEMBL30487472

SCHEMBL30487472

CC(=O)Nc1c(C)cc(N2CCOc3cc(F)ccc3C2)cc1C

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 14/20 0.75
▸ RIPK1 Q13546 2/20 0.47
▸ PIK3C3 Q8NEB9 1/20 0.38
▸ NTRK1 P04629 2/20 0.38
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KCNQ3 O43525 1/20 0.36

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
SCHEMBL23177736 0.86 KCNQ2 (1.00) KCNQ2KCNQ3
SCHEMBL25774939 0.85 KCNQ2 (0.75) KCNQ2RIPK1KCNQ3
SCHEMBL25774949 0.84 KCNQ2 (0.74) KCNQ2RIPK1KCNQ3
SCHEMBL30487401 0.83 KCNQ2 (0.71) KCNQ2RIPK1MAPTKCNQ3
SCHEMBL25245162 0.83 KCNQ2 (0.71) KCNQ2RIPK1MAPTKCNQ3
SCHEMBL25293064 0.83 KCNQ2 (0.71) KCNQ2RIPK1KCNQ3
SCHEMBL31546535 0.83 KCNQ2 (0.64) KCNQ2RIPK1NTRK1MAPTSMN1; SMN2
SCHEMBL25245003 0.82 KCNQ2 (0.70) KCNQ2RIPK1NTRK1KCNQ3
SCHEMBL30487429 0.82 KCNQ2 (0.70) KCNQ2RIPK1NTRK1KCNQ3
SCHEMBL31020108 0.82 KCNQ2 (0.73) 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 1 patent. 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
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