SCHEMBL19634261

SCHEMBL19634261

COc1ccc(CN(Sc2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2F)c2nccs2)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
GPR119 Q8TDV5 8/20 0.39
PDE4B Q07343 3/20 0.39
PDE4A P27815 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
EPHX2 P34913 1/20 0.38
SCN1A P35498 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
STS P08842 1/20 0.36
SLC2A1 P11166 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RX3 P56373 1/20 0.35

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
SCHEMBL19634096 0.93 MAPT (0.39) MAPTGPR119PDE4BPDE4APDE4C
SCHEMBL19634139 0.87 MAPT (0.39) MAPTGPR119PDE4BPDE4APDE4C
SCHEMBL19614227 0.85 SCN1A (0.43) MAPTGPR119PDE4BPDE4APDE4C
SCHEMBL19634012 0.83 PDE4B (0.41) MAPTGPR119PDE4BPDE4APDE4C
SCHEMBL19631534 0.81 SCN8A (0.41) MAPTGPR119PDE4BPDE4APDE4C
SCHEMBL19627661 0.80 SCN1A (0.41) MAPTGPR119PDE4BPDE4APDE4C
SCHEMBL22590192 0.80 GPR119 (0.44) MAPTGPR119PDE4BPDE4APDE4C
SCHEMBL19613246 0.80 GPR119 (0.41) MAPTGPR119PDE4BPDE4APDE4C
SCHEMBL19634256 0.77 P2RX3 (0.37) MAPTPDE4BPDE4APDE4CPDE4D
SCHEMBL19631616 0.76 PIK3CD (0.38) MAPTGPR119PDE4BPDE4APDE4C

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