SCHEMBL16319800

SCHEMBL16319800

COc1cc(Cl)ccc1Oc1ccc(C(=O)NS(C)(=O)=O)cc1C#N

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.59
SCN5A Q14524 3/20 0.53
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
SLC22A12 Q96S37 2/20 0.50
S1PR3 Q99500 2/20 0.47
TTR P02766 1/20 0.46

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
SCHEMBL679836 0.88 SCN9A (0.51) SCN9ASCN5ASLC22A12
SCHEMBL16319471 0.83 SCN9A (0.63) SCN9ASCN5ASLC6A2SLC6A4SLC6A3
SCHEMBL680156 0.82 SCN9A (0.52) SCN9ASCN5ASLC22A12
SCHEMBL679917 0.82 SCN9A (0.50) SCN9ASCN5ASLC22A12
SCHEMBL678799 0.82 SCN9A (0.56) SCN9ASCN5ASLC6A2SLC6A4SLC6A3
SCHEMBL16319332 0.79 SCN9A (0.61) SCN9ASCN5ASLC6A4SLC22A12
SCHEMBL680209 0.79 SCN9A (0.48) SCN9ASCN5A
SCHEMBL16319802 0.79 SCN9A (0.63) SCN9A
SCHEMBL681098 0.79 EZH2 (0.49) SCN9ASCN5ASLC22A12
SCHEMBL367120 0.78 HDAC8 (0.55) 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-2593427-B1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2014-12-24 EP disclosed