SCHEMBL1576858

SCHEMBL1576858

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(C3=NOCCS3)cnn2C)n1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
CDK1 P06493 1/20 0.36
CYP1A2 P05177 1/20 0.34
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
NLRP3 Q96P20 2/20 0.32

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
SCHEMBL8626947 0.85 GAA (0.45) GAACDK1CYP1A2TP53GLA
SCHEMBL1576882 0.82 GAA (0.48) GAACDK1CYP1A2TP53GLA
SCHEMBL1576855 0.79 GAA (0.46) GAACDK1CYP1A2TP53GLA
SCHEMBL3260607 0.78 GAA (0.43) GAACDK1CYP1A2TP53GLA
SCHEMBL8845296 0.78 GAA (0.49) GAACDK1CYP1A2TP53GLA
SCHEMBL10772751 0.76 GAA (0.46) GAACDK1CYP1A2TP53GLA
SCHEMBL10776511 0.76 GAA (0.47) GAACDK1CYP1A2TP53GLA
SCHEMBL10727714 0.76 GAA (0.45) GAACDK1CYP1A2TP53GLA
SCHEMBL55386 0.75 GAA (0.49) GAACDK1CYP1A2TP53GLA
SCHEMBL116670 0.75 GAA (0.53) GAACDK1CYP1A2TP53GLA

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