SCHEMBL3119441

SCHEMBL3119441

O=C(NCc1ccc(OC(F)(F)F)c(Cl)c1)c1ccc(S(=O)(=O)Nc2nccs2)c(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 10/20 1.00
SCN1A P35498 7/20 1.00
SCN5A Q14524 7/20 1.00
SCN8A Q9UQD0 7/20 1.00
SCN9A Q15858 5/20 1.00
SCN2A Q99250 2/20 1.00
SCN10A Q9Y5Y9 2/20 1.00
KCNH2 Q12809 1/20 1.00
ROCK2 O75116 1/20 0.44

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
SCHEMBL3161008 0.93 SCN3A (0.86) SCN3ASCN1ASCN5ASCN8ASCN9A
SCHEMBL3167092 0.91 SCN3A (0.83) SCN3ASCN1ASCN5ASCN8ASCN9A
SCHEMBL3173728 0.90 SCN3A (0.82) SCN3ASCN1ASCN5ASCN8ASCN9A
SCHEMBL3165494 0.89 SCN3A (0.80) SCN3ASCN1ASCN5ASCN8ASCN9A
SCHEMBL3125226 0.88 SCN3A (1.00) SCN3ASCN1ASCN5ASCN8ASCN9A
SCHEMBL3166390 0.88 SCN3A (0.79) SCN3ASCN1ASCN5ASCN8ASCN9A
SCHEMBL3167725 0.88 SCN3A (0.79) SCN3ASCN1ASCN5ASCN8ASCN9A
SCHEMBL3115353 0.88 SCN3A (0.78) SCN3ASCN1ASCN5ASCN8ASCN9A
SCHEMBL3124501 0.88 SCN3A (0.78) SCN3ASCN1ASCN5ASCN8ASCN9A
SCHEMBL3166158 0.88 SCN3A (0.78) SCN3ASCN1ASCN5ASCN8ASCN9A

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