SCHEMBL3123451

SCHEMBL3123451

O=C(NCc1ccc(OC(F)(F)F)c(Cl)c1)c1ccc(S(=O)(=O)Nc2ncc(F)s2)cc1F

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 12/20 0.60
SCN9A Q15858 10/20 0.57
SCN1A P35498 3/20 0.57
SCN2A Q99250 3/20 0.57
SCN10A Q9Y5Y9 3/20 0.57
SCN5A Q14524 2/20 0.57
SCN8A Q9UQD0 2/20 0.57
KCNH2 Q12809 1/20 0.57
RORC P51449 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
SCHEMBL3122855 0.89 SCN3A (0.75) SCN3ASCN9ASCN1ASCN2ASCN10A
SCHEMBL3173419 0.88 SCN3A (0.57) SCN3ASCN9ASCN1ASCN2ASCN10A
SCHEMBL3131221 0.88 SCN3A (0.58) SCN3ASCN9ASCN1ASCN2ASCN10A
SCHEMBL3129670 0.87 SCN3A (0.79) SCN3ASCN9ASCN1ASCN2ASCN10A
SCHEMBL3158696 0.86 SCN3A (0.57) SCN3ASCN9ASCN1ASCN2ASCN10A
SCHEMBL3115353 0.85 SCN3A (0.78) SCN3ASCN9ASCN1ASCN2ASCN10A
SCHEMBL3159811 0.84 SCN3A (0.58) SCN3ASCN9ASCN1ASCN2ASCN10A
SCHEMBL13452429 0.83 SCN3A (0.53) SCN3ASCN9ASCN1ASCN2ASCN10A
SCHEMBL3162511 0.83 SCN3A (0.56) SCN3ASCN9ASCN1ASCN2ASCN10A
SCHEMBL3158722 0.81 SCN3A (0.63) SCN3ASCN9ASCN1ASCN2ASCN10A

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
WO-2010035166-A1 BENZAMIDE DERIVATIVES PFIZER LIMITED (GB) 2010-04-01 WO disclosed
WO-2010035166-A1 BENZAMIDE DERIVATIVES PFIZER LIMITED (GB) 2010-04-01 WO disclosed