SCHEMBL713630

SCHEMBL713630

O=S(=O)(Nc1nccs1)c1ccc(Nc2ccn(Cc3ccc(Cl)cc3)n2)cc1OC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.53
SCN3A Q9NY46 5/20 0.47
SCN5A Q14524 2/20 0.47
SCN1A P35498 1/20 0.47
KCNH2 Q12809 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN8A Q9UQD0 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.47
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
ESR2 Q92731 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPIA P62937 1/20 0.39

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
SCHEMBL711742 0.88 SCN9A (0.51) SCN9ASCN3ASCN5ASCN1AKCNH2
SCHEMBL713543 0.87 SCN9A (0.60) SCN9ASCN3ASCN5ASCN1AKCNH2
SCHEMBL714026 0.87 SCN9A (0.53) SCN9ASCN3ASCN5ASCN1ASCN8A
SCHEMBL711707 0.85 SCN9A (0.51) SCN9ASCN3ASCN5ASCN1ASCN8A
SCHEMBL712498 0.83 SCN9A (0.51) SCN9ASCN3ASCN5ASCN1ASCN8A
SCHEMBL709786 0.81 SCN9A (0.49) SCN9ASCN3ASCN5ASCN1AKCNH2
SCHEMBL714098 0.81 SCN9A (0.52) SCN9ASCN3ASCN5ASCN1AKCNH2
SCHEMBL715219 0.79 SCN9A (0.50) SCN9ASCN3ASCN5ASCN1ASCN8A
SCHEMBL710922 0.79 SCN9A (0.55) SCN9ASCN1ASCN8A
SCHEMBL713584 0.79 SCN9A (0.51) SCN9ASCN3ASCN5AUSP2MAPT

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