SCHEMBL19634332

SCHEMBL19634332

COc1ccc(CN(c2cscn2)S(=O)(=O)c2cc(Cl)c(N[C@@H]3CCN(C(=O)OC(C)(C)C)C3C)cc2F)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 12/20 0.37
SCN1A P35498 9/20 0.37
SCN5A Q14524 3/20 0.35
NR1I2 O75469 1/20 0.35
SCN1B Q07699 1/20 0.35
RORC P51449 1/20 0.35
STS P08842 1/20 0.35
MAPT P10636 1/20 0.34
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
P2RX3 P56373 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
SCHEMBL19631580 1.00 SCN8A (0.37) SCN8ASCN1ASCN5ANR1I2SCN1B
SCHEMBL29447368 1.00 SCN8A (0.37) SCN8ASCN1ASCN5ANR1I2SCN1B
SCHEMBL19627769 0.94 SCN8A (0.37) SCN8ASCN1ASCN5ANR1I2SCN1B
SCHEMBL21118001 0.93 RORC (0.36) SCN8ASCN1ARORCSTSMAPT
SCHEMBL19613495 0.92 SCN8A (0.39) SCN8ASCN1ASCN5ANR1I2SCN1B
SCHEMBL29447359 0.86 SCN8A (0.45) SCN8ASCN1A
SCHEMBL21117663 0.86 SCN8A (0.45) SCN8ASCN1A
SCHEMBL19631748 0.86 SCN8A (0.45) SCN8ASCN1A
SCHEMBL19634255 0.86 SCN8A (0.45) SCN8ASCN1A
SCHEMBL19627770 0.81 SCN8A (0.44) SCN8ASCN1A

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