SCHEMBL7599518

SCHEMBL7599518

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cc(CN(C)S(C)(=O)=O)ccc2S(C)(=O)=O)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
CDK1 P06493 1/20 0.50
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
CYP1A2 P05177 1/20 0.39
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 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
SCHEMBL5703496 0.89 CDK1 (0.54) GAACDK1MAPTTP53GLA
SCHEMBL5848184 0.76 CDK1 (0.57) GAACDK1MAPTTP53GLA
SCHEMBL10616134 0.75 GAA (0.67) GAACDK1MAPTTP53GLA
SCHEMBL24293435 0.75 GAA (0.52) GAACDK1MAPTTP53GLA
SCHEMBL10740864 0.75 GAA (0.57) GAACDK1MAPTTP53GLA
SCHEMBL15289913 0.74 GAA (0.49) GAACDK1MAPTTP53GLA
SCHEMBL8347834 0.74 GAA (0.58) GAACDK1MAPTTP53GLA
SCHEMBL54922 0.74 GAA (0.58) GAACDK1MAPTTP53GLA
SCHEMBL9657671 0.74 GAA (0.54) GAACDK1MAPTTP53GLA
SCHEMBL11092594 0.74 GAA (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900023-B1 SUBSTITUTED AMINOMETHYL PHENYL SULPHONYL UREAS, THEIR PRODUCTION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE GMBH (DE) 2002-11-27 EP disclosed
US-5925596-A PRE-EMERGENCE AND POST-EMERGENCE HERBICIDES HOECHST-SCHERING AGREVO GMBH (DE) 1999-07-20 US disclosed
EP-0900023-A1 SUBSTITUTED AMINOMETHYL PHENYL SULPHONYL UREAS, THEIR PRODUCTION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1999-03-10 EP disclosed
WO-1997040690-A1 SUBSTITUTED AMINOMETHYL PHENYL SULPHONYL UREAS, THEIR PRODUCTION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1997-11-06 WO disclosed