SCHEMBL19633951

SCHEMBL19633951

COc1ccc(CN(Sc2cc(C)c(Br)cc2F)c2cccc(F)n2)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTR2A P28223 3/20 0.34
HTR2C P28335 2/20 0.34
DHFR P00374 1/20 0.32
TSHR P16473 6/20 0.32
LMNA P02545 4/20 0.32
KDM4E B2RXH2 3/20 0.32
APLNR P35414 1/20 0.32
POLB P06746 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
CYP1A2 P05177 3/20 0.31
CYP3A4 P08684 3/20 0.31
CYP2D6 P10635 3/20 0.31
CYP2C19 P33261 3/20 0.31
CLK4 Q9HAZ1 2/20 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
SCHEMBL19634254 0.87 KMT2A (0.37) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL19634258 0.85 HTR2A (0.38) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL21783444 0.84 KMT2A (0.37) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL19633955 0.83 GAA (0.35) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL20256829 0.83 POLB (0.36) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL20256741 0.81 KMT2A (0.35) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL21783377 0.80 MEN1 (0.37) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL19634006 0.80 DHFR (0.36) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL21783395 0.80 KMT2A (0.36) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL19613774 0.79 KMT2A (0.38) KMT2AMEN1ALDH1A1HTTSMN1; SMN2

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