SCHEMBL20868523

SCHEMBL20868523

CSNC(=O)c1cc(C2CC2)c(COCC2(F)CCN(Cc3ccc(F)cc3Cl)CC2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 13/20 0.47
▸ SCN7A Q01118 3/20 0.37
▸ SCN5A Q14524 3/20 0.37
▸ SCN4A P35499 2/20 0.37
▸ SCN1A P35498 1/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ SCN3A Q9NY46 1/20 0.37
▸ SCN8A Q9UQD0 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ P2RX7 Q99572 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
SCHEMBL20868012 0.89 SCN9A (0.60) SCN9ASCN7ASCN5ASCN4ASCN1A
SCHEMBL20868354 0.88 NPC1 (0.41) SCN9ASCN7ASCN5AMEN1KMT2A
SCHEMBL20868344 0.81 SCN7A (0.47) SCN9ASCN7ASCN5ASCN4ASCN1A
SCHEMBL20868025 0.79 SCN9A (0.45) SCN9ASCN7ASCN5ASCN4ASCN1A
SCHEMBL20868072 0.79 SCN5A (0.45) SCN9ASCN7ASCN5ASCN4A
SCHEMBL18243706 0.77 SCN9A (0.75) SCN9ASCN7ASCN5ASCN4ASCN1A
SCHEMBL20868353 0.77 SCN9A (0.51) SCN9ASCN7ASCN5A
SCHEMBL20868549 0.77 SCN9A (0.58) SCN9ASCN7ASCN5ASCN4ASCN1A
SCHEMBL20868153 0.75 SCN5A (0.62) SCN9ASCN7ASCN5ASCN4ASCN1A
SCHEMBL20868269 0.75 SCN9A (0.56) SCN9ASCN7ASCN5A

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-2019062848-A1 N-(SUBSTITUTED SULFONYL)BENZAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 浙江海正药业股份有限公司 2019-04-04 — — WO disclosed
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