SCHEMBL1576855

SCHEMBL1576855

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C2=NOCCS2)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
CDK1 P06493 1/20 0.38
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 2/20 0.34
NLRP3 Q96P20 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL1576882 0.87 GAA (0.48) GAACDK1MAPTTP53GLA
SCHEMBL1576599 0.84 MAPT (0.35) GAAMAPTTP53GLACYP1A2
SCHEMBL939859 0.84 GAA (0.47) GAACDK1MAPTTP53GLA
Ammonia Solution, Strong SCHEMBL939852 0.83 GAA (0.46) GAACDK1MAPTTP53GLA
Isopropylamine SCHEMBL939850 0.80 GAA (0.43) GAACDK1MAPTTP53GLA
SCHEMBL1202725 0.80 GAA (0.43) GAACDK1MAPTTP53GLA
SCHEMBL15244182 0.79 GAA (0.42) GAACDK1MAPTTP53GLA
SCHEMBL4582813 0.79 GAA (0.42) GAACDK1MAPTTP53GLA
SCHEMBL10413453 0.79 GAA (0.54) GAACDK1MAPTTP53GLA
Monoethanolamine SCHEMBL940690 0.79 GAA (0.42) 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