SCHEMBL1576882

SCHEMBL1576882

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccccc2C2=NOCCS2)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
CDK1 P06493 1/20 0.46
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
CYP1A2 P05177 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36

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
SCHEMBL1576855 0.87 GAA (0.46) GAACDK1MAPTTP53GLA
SCHEMBL8632475 0.84 GAA (0.49) GAACDK1MAPTTP53GLA
SCHEMBL1576858 0.82 GAA (0.43) GAACDK1MAPTTP53GLA
SCHEMBL10616134 0.80 GAA (0.67) GAACDK1MAPTTP53GLA
SCHEMBL10911982 0.80 GAA (0.58) GAACDK1MAPTTP53GLA
SCHEMBL10763019 0.78 GAA (0.51) GAACDK1MAPTTP53GLA
SCHEMBL10762380 0.78 GAA (0.51) GAACDK1MAPTTP53GLA
SCHEMBL10764375 0.78 GAA (0.51) GAACDK1MAPTTP53GLA
SCHEMBL10548081 0.77 GAA (0.54) GAACDK1MAPTTP53GLA
SCHEMBL9823679 0.76 GAA (0.49) GAACDK1MAPTTP53GLA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011039276-A1 OXATHIAZINYL(HET)ARYLSULFONYLUREAS, PROCESSES AND INTERMEDIATES FOR PREPARATION THEREOF AND USE THEREOF AS CROP PROTECTION AGENTS AND CROP GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2011-04-07 WO disclosed
WO-2011039276-A1 OXATHIAZINYL(HET)ARYLSULFONYLUREAS, PROCESSES AND INTERMEDIATES FOR PREPARATION THEREOF AND USE THEREOF AS CROP PROTECTION AGENTS AND CROP GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2011-04-07 WO disclosed