SCHEMBL19008514

SCHEMBL19008514

NCCCNCCCCNc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.69
SCN1A P35498 1/20 0.69
SCN5A Q14524 13/20 0.66
CYP3A4 P08684 8/20 0.66

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
SCHEMBL18992442 0.97 SCN9A (0.70) SCN9ASCN1ASCN5ACYP3A4
SCHEMBL18983164 0.95 SCN5A (0.69) SCN9ASCN1ASCN5ACYP3A4
SCHEMBL18992504 0.90 SCN9A (0.67) SCN9ASCN1ASCN5ACYP3A4
SCHEMBL25974863 0.90 SCN9A (0.67) SCN9ASCN1ASCN5ACYP3A4
SCHEMBL20586558 0.89 SCN9A (0.63) SCN9ASCN1ASCN5ACYP3A4
SCHEMBL18992645 0.89 SCN9A (0.63) SCN9ASCN1ASCN5ACYP3A4
SCHEMBL18983122 0.88 SCN9A (0.62) SCN9ASCN1ASCN5ACYP3A4
SCHEMBL18983173 0.88 SCN9A (0.62) SCN9ASCN1ASCN5ACYP3A4
SCHEMBL18983104 0.88 SCN9A (0.62) SCN9ASCN1ASCN5ACYP3A4
SCHEMBL20182487 0.88 SCN9A (0.67) SCN9ASCN1ASCN5ACYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3389654-B1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC (US) 2023-08-16 EP disclosed
EP-3390374-B1 HYDROXYALKYLAMINE- AND HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME (US) 2020-08-26 EP disclosed
WO-2017106226-A1 HYDROXYALKYLAMINE- AND HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2017-06-22 WO disclosed