SCHEMBL19634220

SCHEMBL19634220

Cc1c(OC2CCNCC2)cc(F)c(SNc2nccs2)c1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 7/20 0.44
SCN1A P35498 6/20 0.44
SCN9A Q15858 4/20 0.36
GCK P35557 1/20 0.34
PIM1 P11309 3/20 0.34
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
CYP3A4 P08684 1/20 0.33
HTR1A P08908 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 1/20 0.33
AURKA O14965 2/20 0.32
AURKB Q96GD4 2/20 0.32
INCENP Q9NQS7 2/20 0.32
SLC6A4 P31645 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL19634022 0.80 SCN8A (0.69) SCN8ASCN1A
SCHEMBL19634095 0.79 SCN8A (0.43) SCN8ASCN1ASCN9ACYP3A4
SCHEMBL19631804 0.78 SCN8A (0.68) SCN8ASCN1ASCN9ACYP3A4
SCHEMBL19631636 0.73 SCN8A (0.63) SCN8ASCN1ASCN9AGCKCYP3A4
Trifluoroacetic Acid SCHEMBL19614282 0.73 SCN8A (0.63) SCN8ASCN1ASCN9ACYP3A4
SCHEMBL19634021 0.72 SCN8A (0.44) SCN8ASCN1A
SCHEMBL19614285 0.65 SCN8A (0.41) SCN8ASCN1ASCN9AGCKCYP3A4
SCHEMBL19633938 0.63 SCN8A (0.42) SCN8ASCN1A
SCHEMBL8271730 0.62 ROCK1 (0.47) HTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL19634135 0.61 SCN8A (0.41) SCN8ASCN1ASCN9ASLC6A4

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-2017201468-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-11-23 WO disclosed