SCHEMBL16319559

SCHEMBL16319559

COc1cc(C#N)ccc1Oc1cc(F)c(C(=O)NS(C)(=O)=O)cc1F

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.53
SCN8A Q9UQD0 2/20 0.46
SCN10A Q9Y5Y9 2/20 0.46
ABCB11 O95342 1/20 0.44
CYP2C9 P11712 1/20 0.44
SCN1A P35498 1/20 0.44
SCN4A P35499 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
AR P10275 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
SCHEMBL16319775 0.96 SCN9A (0.53) SCN9ASCN8ASCN10AABCB11CYP2C9
SCHEMBL16319893 0.85 SCN9A (0.58) SCN9ASCN8ASCN10AABCB11CYP2C9
SCHEMBL16319340 0.84 SCN9A (0.57) SCN9ASCN8ASCN10AABCB11CYP2C9
SCHEMBL679781 0.84 SCN9A (0.67) SCN9ASCN1ASCN5A
SCHEMBL16239692 0.84 SCN9A (0.55) SCN9ASCN5A
SCHEMBL16319754 0.84 SCN9A (0.62) SCN9ASCN8ASCN10AABCB11CYP2C9
SCHEMBL680139 0.83 SCN9A (0.61) SCN9ASCN8ASCN10AABCB11CYP2C9
SCHEMBL16319304 0.82 SCN9A (0.58) SCN9ASCN5A
SCHEMBL678800 0.82 SCN9A (0.63) SCN9ASCN1ASCN5A
SCHEMBL16319458 0.82 SCN9A (0.54) SCN9ASCN8ASCN10AABCB11CYP2C9

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
EP-2593427-B1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2014-12-24 EP disclosed