SCHEMBL3115353

SCHEMBL3115353

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

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 11/20 0.78
SCN9A Q15858 7/20 0.78
SCN1A P35498 5/20 0.78
SCN8A Q9UQD0 5/20 0.78
SCN5A Q14524 4/20 0.78
SCN2A Q99250 3/20 0.78
SCN10A Q9Y5Y9 3/20 0.78
KCNH2 Q12809 1/20 0.78
ROCK2 O75116 1/20 0.44
RORC P51449 1/20 0.41
NR1I2 O75469 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 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 0.90 SCN3A (0.75) SCN3ASCN9ASCN1ASCN8ASCN5A
SCHEMBL3163478 0.89 SCN3A (0.69) SCN3ASCN9ASCN1ASCN8ASCN5A
SCHEMBL3119441 0.88 SCN3A (1.00) SCN3ASCN9ASCN1ASCN8ASCN5A
SCHEMBL3122286 0.87 SCN3A (0.60) SCN3ASCN9ASCN1ASCN8ASCN5A
SCHEMBL3164067 0.87 SCN3A (0.66) SCN3ASCN9ASCN1ASCN8ASCN5A
SCHEMBL3162787 0.85 SCN3A (0.63) SCN3ASCN9ASCN1ASCN8ASCN5A
SCHEMBL3123451 0.85 SCN3A (0.60) SCN3ASCN9ASCN1ASCN8ASCN5A
SCHEMBL3169276 0.83 SCN3A (0.61) SCN3ASCN9ASCN1ASCN8ASCN5A
SCHEMBL3169845 0.83 SCN3A (0.61) SCN3ASCN9ASCN1ASCN8ASCN5A
SCHEMBL3167423 0.82 SCN3A (0.63) SCN3ASCN9ASCN1ASCN8ASCN5A

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