SCHEMBL19634093

SCHEMBL19634093

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
DHFR P00374 1/20 0.34
CYP3A4 P08684 4/20 0.34
ALDH1A1 P00352 4/20 0.34
FBP1 P09467 1/20 0.34
TSHR P16473 5/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2C19 P33261 3/20 0.33
CLK4 Q9HAZ1 2/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 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
SCHEMBL19633978 0.89 MEN1 (0.38) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL19634063 0.89 MEN1 (0.36) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL20256536 0.87 MEN1 (0.37) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL20095534 0.84 HTR2A (0.36) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL20256308 0.82 CYP1A2 (0.38) MEN1KMT2ACYP3A4ALDH1A1TSHR
SCHEMBL20182504 0.80 GAA (0.41) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL19634090 0.79 HTR2A (0.38) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL20256716 0.78 CYP1A2 (0.39) MEN1KMT2ACYP3A4ALDH1A1TSHR
SCHEMBL20256792 0.78 HTR2A (0.36) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL19634121 0.77 MEN1 (0.36) MEN1KMT2ASCN1ASCN2ASCN3A

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