SCHEMBL19634176

SCHEMBL19634176

COc1ccc(CN(Sc2ccc(NC3CN(C(=O)OC(C)(C)C)C3)c(Cl)c2)c2nccs2)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.36
PRMT5 O14744 1/20 0.36
CNR1 P21554 3/20 0.35
DYRK1A Q13627 1/20 0.35
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
ERBB3 P21860 1/20 0.34
ERBB4 Q15303 1/20 0.34
ALK Q9UM73 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
MAPT P10636 1/20 0.34
EPHX2 P34913 1/20 0.33
STS P08842 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL19634256 0.89 P2RX3 (0.37) P2RX3MEN1KMT2AMAPTSTS
SCHEMBL19634012 0.85 PDE4B (0.41) P2RX3MEN1KMT2AMAPTEPHX2
SCHEMBL19614233 0.85 SCN8A (0.37) P2RX3PRMT5CNR1DYRK1AEGFR
SCHEMBL19634031 0.84 STS (0.36) P2RX3CNR1MEN1KMT2AMAPT
SCHEMBL29447377 0.80 CNR1 (0.41) CNR1DYRK1ASTSALDH1A1
SCHEMBL29447346 0.80 CNR1 (0.41) CNR1DYRK1ASTSALDH1A1
SCHEMBL19631557 0.80 CNR1 (0.41) CNR1DYRK1ASTSALDH1A1
SCHEMBL19631765 0.80 CNR1 (0.41) CNR1DYRK1ASTSALDH1A1
SCHEMBL19634114 0.80 SCN1A (0.37) P2RX3MEN1KMT2AALDH1A1
SCHEMBL19627625 0.78 SCN8A (0.37) CNR1DYRK1ASTS

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