SCHEMBL3680932

SCHEMBL3680932

O=S(=O)(Nc1nccs1)c1ccc(Nc2ccn(Cc3ccc(C(F)(F)F)cc3)n2)cc1F.O=[N+]([O-])c1cnn(Cc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.49
HIF1A Q16665 2/20 0.42
SCN3A Q9NY46 5/20 0.41
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
SCN1A P35498 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37

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
SCHEMBL709786 0.89 SCN9A (0.49) SCN9ASCN3ASCN1AKCNH2SCN5A
SCHEMBL710596 0.83 SCN9A (0.59) SCN9ASCN3ASCN1AKCNH2SCN5A
SCHEMBL714098 0.82 SCN9A (0.52) SCN9ASCN3AKMT2AMEN1SCN1A
SCHEMBL713543 0.81 SCN9A (0.60) SCN9ASCN3ALMNASMN1; SMN2MAPT
SCHEMBL715219 0.80 SCN9A (0.50) SCN9ASCN3ASCN1ASCN5ASCN8A
SCHEMBL710922 0.78 SCN9A (0.55) SCN9ASCN1ASCN8A
SCHEMBL715212 0.76 SCN9A (0.57) SCN9ASCN3ASCN5A
SCHEMBL711742 0.76 SCN9A (0.51) SCN9ASCN3ALMNASMN1; SMN2MAPT
SCHEMBL710036 0.75 SCN9A (0.72) SCN9ASCN3ALMNASMN1; SMN2MAPT
SCHEMBL714026 0.75 SCN9A (0.53) SCN9ASCN3AKMT2ALMNASMN1; SMN2

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