SCHEMBL19634006

SCHEMBL19634006

COc1ccc(CN(Sc2c(F)cc(F)c(Br)c2F)c2cccc(F)n2)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.36
KMT2A Q03164 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 7/20 0.32
LMNA P02545 4/20 0.32
KDM4E B2RXH2 3/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
APLNR P35414 1/20 0.32
CYP1A2 P05177 5/20 0.32
CYP3A4 P08684 5/20 0.32
CYP2D6 P10635 5/20 0.32
CYP2C19 P33261 5/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2C9 P11712 2/20 0.32
USP2 O75604 2/20 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
SCHEMBL20256741 0.87 KMT2A (0.35) DHFRKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL19634163 0.83 GAA (0.36) DHFRKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL19633951 0.80 KMT2A (0.36) DHFRKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL19634258 0.80 HTR2A (0.38) DHFRKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL21783395 0.79 KMT2A (0.36) DHFRKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL19634002 0.79 DHFR (0.34) DHFRKMT2AMEN1ALDH1A1TSHR
SCHEMBL21783444 0.79 KMT2A (0.37) DHFRKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL19634018 0.78 MEN1 (0.39) DHFRKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL19614107 0.78 DHFR (0.35) DHFRKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL21783377 0.77 MEN1 (0.37) DHFRKMT2ASMN1; SMN2MEN1ALDH1A1

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