SCHEMBL20256308

SCHEMBL20256308

COc1ccc(CN(Sc2ccc(NCc3ccccc3)c(Cl)c2)c2nccs2)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.38
CYP3A4 P08684 7/20 0.38
CYP2D6 P10635 7/20 0.38
TSHR P16473 6/20 0.38
CYP2C19 P33261 5/20 0.38
ALDH1A1 P00352 3/20 0.38
CLK4 Q9HAZ1 2/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 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
SCHEMBL20256130 0.87 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL19634123 0.82 SCN8A (0.50) TSHRALDH1A1MEN1KMT2AMAPK1
SCHEMBL19633978 0.82 MEN1 (0.38) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL19634063 0.82 MEN1 (0.36) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL19634093 0.82 MEN1 (0.36) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL20256717 0.80 POLB (0.37) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL20256524 0.80 KDM4E (0.36) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL20256471 0.80 ALDH1A1 (0.37) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL20256286 0.80 MAPT (0.37) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL20256536 0.80 MEN1 (0.37) CYP1A2CYP3A4CYP2D6TSHRCYP2C19

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