SCHEMBL711995

SCHEMBL711995

Cc1cc(Nc2ccc(S(=O)(=O)Nc3nccs3)c(C(F)(F)F)c2)n(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.51
GAA P10253 3/20 0.45
HPGD P15428 3/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.42
SLC22A12 Q96S37 1/20 0.42
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SCN1A P35498 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
NTRK1 P04629 1/20 0.40

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
SCHEMBL710732 0.89 SCN9A (0.63) SCN9AGAAHPGDMAPK1SMN1; SMN2
SCHEMBL710624 0.88 SCN9A (0.55) SCN9AGAAHPGDMAPK1SMN1; SMN2
SCHEMBL709771 0.87 SCN9A (0.52) SCN9AGAAHPGDMAPK1SMN1; SMN2
SCHEMBL712049 0.87 SCN9A (0.54) SCN9AGAAHPGDMAPK1SMN1; SMN2
SCHEMBL710250 0.84 SCN9A (0.53) SCN9ASCN1ASCN5ASCN8A
SCHEMBL712665 0.84 SCN9A (0.61) SCN9ASCN1ASCN5ASCN8A
SCHEMBL712299 0.84 SCN9A (0.68) SCN9AGAAHPGDMAPK1SMN1; SMN2
SCHEMBL713597 0.83 SCN9A (0.55) SCN9ASCN1ASCN5ASCN8A
SCHEMBL714318 0.81 SCN9A (0.65) SCN9ASCN1ASCN5ASCN8A
SCHEMBL712667 0.81 SCN9A (0.65) SCN9AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US claimed
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