SCHEMBL19634333

SCHEMBL19634333

COc1ccc(CN(Sc2cc(Cl)c(N[C@@H]3CCN(C=O)[C@@H]3C)cc2F)c2cscn2)c(OC)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 4/20 0.33
SCN8A Q9UQD0 4/20 0.33
KDM4E B2RXH2 1/20 0.32
NR1I2 O75469 1/20 0.30
SCN1B Q07699 1/20 0.30
SCN5A Q14524 1/20 0.30

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
SCHEMBL19634257 0.85 SCN8A (0.39) SCN1ASCN8A
SCHEMBL19634248 0.81 KDM4E (0.36) SCN1ASCN8AKDM4ENR1I2SCN1B
SCHEMBL19634133 0.79 HTR2A (0.38) SCN1ASCN8AKDM4ENR1I2SCN1B
SCHEMBL19613495 0.74 SCN8A (0.39) SCN1ASCN8AKDM4ENR1I2SCN1B
SCHEMBL20256322 0.73 SCN8A (0.51) SCN1ASCN8ANR1I2SCN1BSCN5A
SCHEMBL19631580 0.73 SCN8A (0.37) SCN1ASCN8AKDM4ENR1I2SCN1B
SCHEMBL29447368 0.73 SCN8A (0.37) SCN1ASCN8AKDM4ENR1I2SCN1B
SCHEMBL19634332 0.73 SCN8A (0.37) SCN1ASCN8AKDM4ENR1I2SCN1B
SCHEMBL20095879 0.71 SCN9A (0.37) KDM4E
SCHEMBL19633964 0.70 MAPT (0.34) SCN8AKDM4E

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