SCHEMBL22089147

SCHEMBL22089147

NCCCNc1cc(F)c(S(=O)(=O)Nc2ncns2)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.67
SCN5A Q14524 7/20 0.67
CYP3A4 P08684 5/20 0.67
SCN1A P35498 2/20 0.48
SCN8A Q9UQD0 1/20 0.48

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
SCHEMBL19001204 0.97 SCN9A (0.66) SCN9ASCN5ACYP3A4SCN1ASCN8A
SCHEMBL18992436 0.96 SCN9A (0.62) SCN9ASCN5ACYP3A4SCN1ASCN8A
SCHEMBL18992638 0.93 SCN9A (0.64) SCN9ASCN5ACYP3A4SCN1ASCN8A
SCHEMBL19001188 0.91 SCN9A (0.63) SCN9ASCN5ACYP3A4SCN1ASCN8A
SCHEMBL19001194 0.90 SCN9A (0.62) SCN9ASCN5ACYP3A4SCN1ASCN8A
SCHEMBL22593001 0.89 SCN9A (0.64) SCN9ASCN5ACYP3A4SCN1ASCN8A
SCHEMBL18992319 0.89 SCN9A (0.59) SCN9ASCN5ACYP3A4SCN1ASCN8A
SCHEMBL20586569 0.88 SCN9A (0.58) SCN9ASCN5ACYP3A4SCN1ASCN8A
SCHEMBL18992201 0.88 SCN9A (0.58) SCN9ASCN5ACYP3A4SCN1ASCN8A
SCHEMBL19000935 0.88 SCN9A (0.58) SCN9ASCN5ACYP3A4SCN1ASCN8A

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
WO-2020117626-A1 4-AMINO OR 4-ALKOXY-SUBSTITUTED ARYL SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2020-06-11 WO disclosed