SCHEMBL3122855

SCHEMBL3122855

O=C(NCc1ccc(OC(F)(F)F)c(Cl)c1)c1ccc(S(=O)(=O)Nc2ncc(F)s2)cc1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 14/20 0.75
SCN1A P35498 3/20 0.64
SCN9A Q15858 3/20 0.64
SCN2A Q99250 3/20 0.64
SCN10A Q9Y5Y9 3/20 0.64
SCN5A Q14524 2/20 0.64
SCN8A Q9UQD0 2/20 0.64
KCNH2 Q12809 1/20 0.64
NAMPT P43490 2/20 0.46
RORC P51449 1/20 0.46
ROCK2 O75116 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3115353 0.90 SCN3A (0.78) SCN3ASCN1ASCN9ASCN2ASCN10A
SCHEMBL3123451 0.89 SCN3A (0.60) SCN3ASCN1ASCN9ASCN2ASCN10A
SCHEMBL3127375 0.87 SCN3A (0.73) SCN3ASCN1ASCN9ASCN2ASCN10A
SCHEMBL4458928 0.86 SCN3A (0.70) SCN3ASCN1ASCN9ASCN2ASCN10A
SCHEMBL3125226 0.85 SCN3A (1.00) SCN3ASCN1ASCN9ASCN2ASCN10A
SCHEMBL3168903 0.85 SCN3A (0.70) SCN3ASCN1ASCN9ASCN2ASCN10A
SCHEMBL3060620 0.82 SCN9A (0.54) SCN3ASCN1ASCN9ASCN2ASCN10A
SCHEMBL3154148 0.80 SCN3A (0.71) SCN3ASCN1ASCN9ASCN2ASCN10A
SCHEMBL3159810 0.79 SCN3A (0.75) SCN3ASCN1ASCN9ASCN2ASCN10A
SCHEMBL3154263 0.79 SCN3A (0.86) SCN3ASCN1ASCN9ASCN2ASCN10A

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