SCHEMBL19634068

SCHEMBL19634068

COc1ccc(CN(Sc2ccc(F)c(Cl)c2)c2ccncn2)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
CYP1A2 P05177 8/20 0.38
CYP3A4 P08684 8/20 0.38
CYP2D6 P10635 8/20 0.38
CYP2C19 P33261 8/20 0.38
ALDH1A1 P00352 6/20 0.38
TSHR P16473 5/20 0.38
CYP2C9 P11712 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.37
KDR P35968 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35

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
SCHEMBL20256925 0.87 GAA (0.41) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL20256934 0.87 CYP1A2 (0.38) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL25089776 0.84 CYP1A2 (0.37) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL20256724 0.84 POLB (0.37) MAPTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL20096250 0.82 POLB (0.39) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL20256435 0.82 POLB (0.39) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL20256889 0.82 CYP1A2 (0.37) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL19634018 0.82 MEN1 (0.39) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL19633903 0.82 MEN1 (0.40) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL19633978 0.81 MEN1 (0.38) MEN1KMT2AMAPTCYP1A2CYP3A4

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