SCHEMBL8780855

SCHEMBL8780855

CCS(=O)(=O)c1ccc(N(C)C(C)=O)cc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
CDK1 P06493 1/20 0.50
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 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
SCHEMBL5847237 0.79 CDK1 (0.54) GAACDK1MAPTTP53GLA
SCHEMBL5847235 0.79 CDK1 (0.54) GAACDK1MAPTTP53GLA
SCHEMBL8603860 0.79 CDK1 (0.71) GAACDK1MAPTTP53GLA
SCHEMBL8605128 0.78 CDK1 (0.70) GAACDK1MAPTTP53GLA
SCHEMBL8605124 0.78 CDK1 (0.70) GAACDK1MAPTTP53GLA
SCHEMBL9202913 0.76 CDK1 (0.55) GAACDK1MAPTTP53GLA
SCHEMBL10565660 0.76 GAA (0.56) GAACDK1MAPTTP53GLA
SCHEMBL10616134 0.75 GAA (0.67) GAACDK1MAPTTP53GLA
SCHEMBL11092594 0.74 GAA (0.54) GAACDK1MAPTTP53GLA
Rimsulfuron SCHEMBL37660 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790985-A1 N-ACYL-N-ALKYLAMINO PHENYL SULPHONYL UREAS WITH SULPHUR SUBSTITUENTS, PROCESS FOR THEIR PRODUCTION AND USE AS HERBICIDES AND PLANT GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1997-08-27 EP disclosed
WO-1996014304-A1 N-ACYL-N-ALKYLAMINO PHENYL SULPHONYL UREAS WITH SULPHUR SUBSTITUENTS, PROCESS FOR THEIR PRODUCTION AND USE AS HERBICIDES AND PLANT GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1996-05-17 WO disclosed