SCHEMBL19634031

SCHEMBL19634031

COc1ccc(CN(Sc2ccc(O[C@@H]3CCN(C(=O)OC(C)(C)C)CC3C)c(Cl)c2)c2nccs2)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.36
P2RX3 P56373 1/20 0.36
SCN1A P35498 6/20 0.36
SCN8A Q9UQD0 6/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
MAPT P10636 1/20 0.35
PDE4B Q07343 1/20 0.34
EPHX2 P34913 1/20 0.34
SLC2A1 P11166 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL19634012 0.91 PDE4B (0.41) STSP2RX3SCN1ASCN8AMEN1
SCHEMBL19634256 0.89 P2RX3 (0.37) STSP2RX3SCN1ASCN8AMEN1
SCHEMBL19631502 0.85 SCN1A (0.42) STSP2RX3SCN1ASCN8AMEN1
SCHEMBL19613480 0.85 SCN1A (0.42) STSP2RX3SCN1ASCN8AMEN1
SCHEMBL19634014 0.85 SCN1A (0.42) STSP2RX3SCN1ASCN8AMEN1
SCHEMBL19634114 0.85 SCN1A (0.37) P2RX3SCN1ASCN8AMEN1KMT2A
SCHEMBL19634176 0.84 P2RX3 (0.36) STSP2RX3MEN1KMT2AMAPT
SCHEMBL19634139 0.80 MAPT (0.39) STSP2RX3SCN1ASCN8AMEN1
SCHEMBL19627600 0.80 SCN8A (0.42) STSSCN1ASCN8APIK3CDPIK3CA
SCHEMBL19633926 0.78 STS (0.36) STSP2RX3SCN1ASCN8AMEN1

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