SCHEMBL19634264

SCHEMBL19634264

COc1ccc(CN(Sc2cc(Br)c(N)cc2F)c2cscn2)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
APLNR P35414 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ADRB2 P07550 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
SCHEMBL19634192 0.91 APLNR (0.34) MEN1KMT2AAPLNRALDH1A1
SCHEMBL19634304 0.83 ACLY (0.35) MEN1KMT2AAPLNRALDH1A1
SCHEMBL19634076 0.81 APLNR (0.32) NPC1RAB9AAPLNRALDH1A1
SCHEMBL21794109 0.78 ALDH1A1 (0.34) MEN1KMT2AAPLNRALDH1A1
SCHEMBL19634161 0.78 ALDH1A1 (0.34) MEN1NPC1RAB9AKMT2AAPLNR
SCHEMBL19631521 0.77 ACLY (0.36) APLNRALDH1A1
SCHEMBL21783460 0.76 ALDH1A1 (0.34) MEN1KMT2AAPLNRALDH1A1
SCHEMBL21794068 0.73 APLNR (0.34) MEN1KMT2AAPLNRALDH1A1
SCHEMBL21793990 0.70 ACLY (0.35) MEN1KMT2AALDH1A1
SCHEMBL19634133 0.70 HTR2A (0.38) MEN1KMT2AAPLNRALDH1A1

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