SCHEMBL19634076

SCHEMBL19634076

COc1ccc(CN(Sc2cc(C=O)c(F)cc2F)c2cscn2)cc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APLNR P35414 3/20 0.32
TSPO P30536 1/20 0.32
ERN1 O75460 1/20 0.32
BCHE P06276 1/20 0.31
QPCT Q16769 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BCL2A1 Q16548 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL19634192 0.85 APLNR (0.34) APLNRQPCTALDH1A1LMNA
SCHEMBL19634304 0.85 ACLY (0.35) APLNRQPCTALDH1A1LMNA
SCHEMBL19634264 0.81 GCK (0.33) APLNRNPC1RAB9AALDH1A1
SCHEMBL19613502 0.78 ACLY (0.37) APLNRALDH1A1LMNANPSR1
SCHEMBL21783460 0.74 ALDH1A1 (0.34) APLNRTSPOALDH1A1LMNA
SCHEMBL21794068 0.73 APLNR (0.34) APLNRALDH1A1LMNA
SCHEMBL19634133 0.72 HTR2A (0.38) APLNRTDP1ALDH1A1LMNA
SCHEMBL21117650 0.70 ACLY (0.39) APLNRERN1
SCHEMBL21794109 0.70 ALDH1A1 (0.34) APLNRTSPOALDH1A1LMNA
SCHEMBL19634161 0.70 ALDH1A1 (0.34) APLNRTSPOQPCTNPC1RAB9A

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