SCHEMBL19634014

SCHEMBL19634014

COc1ccc(CN(c2nccs2)S(=O)(=O)c2ccc(O[C@@H]3CCN(C(=O)OC(C)(C)C)CC3C)c(Cl)c2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 8/20 0.42
SCN8A Q9UQD0 8/20 0.42
STS P08842 2/20 0.39
BMP1 P13497 1/20 0.37
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
SLC2A1 P11166 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.34
P2RX3 P56373 1/20 0.34

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
SCHEMBL19613480 1.00 SCN1A (0.42) SCN1ASCN8ASTSBMP1PIK3CD
SCHEMBL19631502 1.00 SCN1A (0.42) SCN1ASCN8ASTSBMP1PIK3CD
SCHEMBL19627600 0.94 SCN8A (0.42) SCN1ASCN8ASTSBMP1PIK3CD
SCHEMBL19613659 0.91 SCN8A (0.46) SCN1ASCN8ASTSBMP1
SCHEMBL19613880 0.90 SCN1A (0.41) SCN1ASCN8ASTSBMP1PIK3CD
SCHEMBL29447377 0.87 CNR1 (0.41) SCN1ASCN8ASTSBMP1PIK3CD
SCHEMBL19631557 0.87 CNR1 (0.41) SCN1ASCN8ASTSBMP1PIK3CD
SCHEMBL29447346 0.87 CNR1 (0.41) SCN1ASCN8ASTSBMP1PIK3CD
SCHEMBL19631765 0.87 CNR1 (0.41) SCN1ASCN8ASTSBMP1PIK3CD
SCHEMBL19631552 0.86 SCN8A (0.40) SCN1ASCN8ASTSBMP1SLC2A1

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