SCHEMBL21783460

SCHEMBL21783460

COc1ccc(CN(Sc2ccc(F)c(C)n2)c2cscn2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
APLNR P35414 4/20 0.32
TSPO P30536 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 2/20 0.31
LMNA P02545 2/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
DRD1 P21728 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL21794068 0.78 APLNR (0.34) ALDH1A1APLNRMEN1KMT2ATSHR
SCHEMBL21794109 0.77 ALDH1A1 (0.34) ALDH1A1APLNRTSPOMEN1KMT2A
SCHEMBL19634304 0.76 ACLY (0.35) ALDH1A1APLNRMEN1KMT2ATSHR
SCHEMBL19634192 0.76 APLNR (0.34) ALDH1A1APLNRMEN1KMT2ATSHR
SCHEMBL19634264 0.76 GCK (0.33) ALDH1A1APLNRMEN1KMT2A
SCHEMBL21783458 0.76 CNR2 (0.39) ALDH1A1APLNRLMNA
SCHEMBL21783439 0.76 SCN8A (0.54)
SCHEMBL21783434 0.75 SCN1A (0.55)
SCHEMBL19634161 0.75 ALDH1A1 (0.34) ALDH1A1APLNRTSPOMEN1KMT2A
SCHEMBL19634076 0.74 APLNR (0.32) ALDH1A1APLNRTSPOLMNA

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-2020047323-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2020-03-05 WO disclosed