SCHEMBL16175229

SCHEMBL16175229

COc1cc(Oc2cc(F)c(C(=O)NS(C)(=O)=O)cc2F)ncn1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.55
SCN5A Q14524 2/20 0.49
ABCB11 O95342 1/20 0.49
CYP2C9 P11712 1/20 0.49
SCN1A P35498 1/20 0.49
SCN4A P35499 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
SCN8A Q9UQD0 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.49

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
SCHEMBL1690180 0.88 SCN9A (0.55) SCN9ASCN5AABCB11CYP2C9SCN1A
SCHEMBL365558 0.86 SCN9A (0.57) SCN9ASCN5AABCB11CYP2C9SCN1A
SCHEMBL16175348 0.85 SCN9A (0.54) SCN9ASCN5AABCB11CYP2C9SCN1A
SCHEMBL365530 0.83 SCN9A (0.56) SCN9ASCN5AABCB11CYP2C9SCN1A
SCHEMBL365121 0.81 SCN9A (0.63) SCN9ASCN5AABCB11CYP2C9SCN1A
SCHEMBL16175324 0.81 SCN9A (0.54) SCN9ASCN5AABCB11CYP2C9SCN1A
SCHEMBL10198079 0.81 SCN9A (0.61) SCN9A
SCHEMBL366707 0.81 SCN9A (0.56) SCN9ASCN5AABCB11CYP2C9SCN1A
SCHEMBL1690189 0.80 SCN9A (0.61) SCN9ASCN5AABCB11CYP2C9SCN1A
SCHEMBL366574 0.78 SCN9A (0.56) SCN9ASCN5A

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-2593432-B1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2014-10-22 EP disclosed