SCHEMBL3740544

SCHEMBL3740544

CS(=O)(=O)c1cc(S(=O)(=O)Nc2nccs2)c(F)cc1Nc1ccn(Cc2ccc(Cl)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.55
SCN5A Q14524 15/20 0.51
SCN1A P35498 14/20 0.51
SCN8A Q9UQD0 14/20 0.51
CYP3A4 P08684 2/20 0.46
SCN1B Q07699 1/20 0.46

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
SCHEMBL715080 0.92 SCN9A (0.56) SCN9ASCN5ASCN1ASCN8ACYP3A4
SCHEMBL710121 0.92 SCN9A (0.57) SCN9ASCN5ASCN1ASCN8ACYP3A4
SCHEMBL713543 0.85 SCN9A (0.60) SCN9ASCN5ASCN1ASCN8ACYP3A4
SCHEMBL713308 0.83 SCN9A (0.69) SCN9ASCN5ASCN1ASCN8A
SCHEMBL711707 0.80 SCN9A (0.51) SCN9ASCN5ASCN1ASCN8A
SCHEMBL714026 0.79 SCN9A (0.53) SCN9ASCN5ASCN1ASCN8A
SCHEMBL714858 0.79 SCN9A (0.61) SCN9ASCN5ASCN1ASCN8ASCN1B
SCHEMBL714098 0.79 SCN9A (0.52) SCN9ASCN5ASCN1ASCN8ACYP3A4
SCHEMBL711742 0.78 SCN9A (0.51) SCN9ASCN5ASCN1ASCN8A
SCHEMBL710922 0.77 SCN9A (0.55) SCN9ASCN1ASCN8A

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
EP-2173743-A2 SODIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2010-04-14 EP disclosed
WO-2009012242-A2 SODIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 2009-01-22 WO disclosed