SCHEMBL20256159

SCHEMBL20256159

COc1ccc(CN(Sc2cc(Cl)c(NCc3ccc4ccccc4c3)cc2F)c2nccs2)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.39
MEN1 O00255 7/20 0.39
CYP1A2 P05177 7/20 0.36
CYP3A4 P08684 7/20 0.36
TSHR P16473 7/20 0.36
CYP2D6 P10635 6/20 0.36
CYP2C19 P33261 6/20 0.36
ALDH1A1 P00352 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C9 P11712 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 2/20 0.33
GFER P55789 1/20 0.33
SCN1A P35498 3/20 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
SCHEMBL20256130 0.93 CYP1A2 (0.37) KMT2AMEN1CYP1A2CYP3A4TSHR
SCHEMBL20256524 0.91 KDM4E (0.36) KMT2AMEN1CYP1A2CYP3A4TSHR
SCHEMBL20256286 0.91 MAPT (0.37) KMT2AMEN1CYP1A2CYP3A4TSHR
SCHEMBL20256471 0.91 ALDH1A1 (0.37) KMT2AMEN1CYP1A2CYP3A4TSHR
SCHEMBL20256162 0.89 SCN1A (0.41) KMT2AMEN1CYP1A2CYP3A4TSHR
SCHEMBL20256548 0.89 MEN1 (0.34) KMT2AMEN1CYP1A2CYP3A4TSHR
SCHEMBL20256174 0.88 CYP1A2 (0.37) KMT2AMEN1CYP1A2CYP3A4TSHR
SCHEMBL20256212 0.88 MITF (0.40) KMT2AMEN1CYP1A2CYP3A4TSHR
SCHEMBL20256424 0.87 SCN1A (0.36) KMT2AMEN1CYP1A2CYP3A4TSHR
SCHEMBL20256699 0.87 KDM4E (0.38) KMT2AMEN1CYP1A2CYP3A4TSHR

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-2018106284-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2018-06-14 WO disclosed