SCHEMBL16319340

SCHEMBL16319340

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

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.57
SCN5A Q14524 2/20 0.47
ABCB11 O95342 1/20 0.47
CYP2C9 P11712 1/20 0.47
SCN1A P35498 1/20 0.47
SCN4A P35499 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
SCN8A Q9UQD0 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.47

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
SCHEMBL16319633 0.95 SCN9A (0.57) SCN9ASCN5AABCB11CYP2C9SCN1A
SCHEMBL16319360 0.90 SCN9A (0.62) SCN9ASCN5AABCB11CYP2C9SCN1A
SCHEMBL16319893 0.89 SCN9A (0.58) SCN9ASCN5AABCB11CYP2C9SCN1A
SCHEMBL363461 0.88 SCN9A (0.60) SCN9A
SCHEMBL16319241 0.88 SCN9A (0.54) SCN9ASCN5A
SCHEMBL16319754 0.87 SCN9A (0.62) SCN9ASCN5AABCB11CYP2C9SCN1A
SCHEMBL680139 0.87 SCN9A (0.61) SCN9ASCN5AABCB11CYP2C9SCN1A
SCHEMBL16319614 0.86 SCN9A (0.70) SCN9ASCN5ASCN1A
SCHEMBL16319458 0.85 SCN9A (0.54) SCN9ASCN5AABCB11CYP2C9SCN1A
SCHEMBL16319658 0.85 SCN9A (0.58) SCN9ASCN5AABCB11CYP2C9SCN1A

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