SCHEMBL19634012

SCHEMBL19634012

COc1ccc(CN(Sc2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)c2nccs2)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.41
PDE4A P27815 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
SCN1A P35498 2/20 0.39
SCN8A Q9UQD0 2/20 0.39
STS P08842 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.38
EPHX2 P34913 1/20 0.37
P2RX3 P56373 1/20 0.37
CACNB4 O00305 1/20 0.37
CACNA1A O00555 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNG3 O60359 1/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNB3 P54284 1/20 0.37
CACNA2D1 P54289 1/20 0.37

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
SCHEMBL19634256 0.93 P2RX3 (0.37) PDE4BPDE4APDE4CPDE4DSCN1A
SCHEMBL19634031 0.91 STS (0.36) PDE4BSCN1ASCN8ASTSMEN1
SCHEMBL19634114 0.90 SCN1A (0.37) PDE4BPDE4APDE4CPDE4DSCN1A
SCHEMBL19634139 0.89 MAPT (0.39) PDE4BPDE4APDE4CPDE4DSCN1A
SCHEMBL19634096 0.86 MAPT (0.39) PDE4BPDE4APDE4CPDE4DSTS
SCHEMBL19634176 0.85 P2RX3 (0.36) STSMEN1KMT2AMAPTEPHX2
SCHEMBL19613659 0.85 SCN8A (0.46) PDE4BPDE4APDE4CPDE4DSCN1A
SCHEMBL19634261 0.83 MAPT (0.39) PDE4BPDE4APDE4CPDE4DSCN1A
SCHEMBL22590192 0.81 GPR119 (0.44) PDE4BPDE4APDE4CPDE4DSCN1A
SCHEMBL19633926 0.80 STS (0.36) PDE4BPDE4APDE4CPDE4DSCN1A

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