SCHEMBL21783377

SCHEMBL21783377

COc1ccc(CN(Sc2cc(C)c(F)cn2)c2cccc(F)n2)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 8/20 0.34
CYP1A2 P05177 7/20 0.34
CYP3A4 P08684 7/20 0.34
CYP2D6 P10635 7/20 0.34
CYP2C19 P33261 6/20 0.34
LMNA P02545 4/20 0.34
CLK4 Q9HAZ1 2/20 0.34
DHFR P00374 2/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
USP2 O75604 1/20 0.33

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
SCHEMBL21794007 0.88 GAA (0.42) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL21783395 0.85 KMT2A (0.36) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL20256741 0.81 KMT2A (0.35) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL21783444 0.81 KMT2A (0.37) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL19633951 0.80 KMT2A (0.36) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL21783508 0.79 SCN1A (0.52)
SCHEMBL19634254 0.79 KMT2A (0.37) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL21783445 0.79 CYP1A2 (0.35) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL19634018 0.78 MEN1 (0.39) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL19634258 0.78 HTR2A (0.38) MEN1KMT2AALDH1A1HTTSMN1; 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-2020047323-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2020-03-05 WO disclosed