SCHEMBL19634133

SCHEMBL19634133

COc1ccc(CN(Sc2cc(Cl)c(F)cc2F)c2cscn2)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
SLC6A4 P31645 2/20 0.38
KCNH2 Q12809 2/20 0.38
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.33
APLNR P35414 1/20 0.32
TSHR P16473 4/20 0.32
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2D6 P10635 3/20 0.32
CYP2C19 P33261 3/20 0.32
CLK4 Q9HAZ1 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL19634248 0.90 KDM4E (0.36) HTR2ASLC6A4KCNH2KDM4EMEN1
SCHEMBL19634304 0.86 ACLY (0.35) HTR2ASLC6A4KCNH2MEN1KMT2A
SCHEMBL20256415 0.83 HTR2A (0.38) HTR2ASLC6A4KCNH2KDM4EMEN1
SCHEMBL20256744 0.83 GAA (0.38) HTR2ASLC6A4KCNH2KDM4EMEN1
SCHEMBL20256934 0.83 CYP1A2 (0.38) HTR2ASLC6A4KCNH2KDM4EMEN1
SCHEMBL19634258 0.82 HTR2A (0.38) HTR2ASLC6A4KCNH2KDM4EMEN1
SCHEMBL20256322 0.81 SCN8A (0.51) KCNH2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL20256421 0.81 HTR2A (0.38) HTR2ASLC6A4KCNH2KDM4EMEN1
SCHEMBL26184797 0.81 HTR2A (0.38) HTR2ASLC6A4KCNH2KDM4EMEN1
SCHEMBL19634090 0.81 HTR2A (0.38) HTR2ASLC6A4KCNH2KDM4EMEN1

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