SCHEMBL9199223

SCHEMBL9199223

COC(=O)c1cnn(C)c1S(=O)(=O)NC(=O)Nc1nc(C)cc(OC)n1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
KMT2A Q03164 1/20 0.42
CDK1 P06493 1/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.38
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
SPR P35270 1/20 0.35
MAPT P10636 1/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL1535829 0.94 GAA (0.53) GAAKMT2ACDK1CYP1A2ALDH1A1
SCHEMBL9195352 0.92 GAA (0.44) GAAKMT2ACDK1TSHRSMN1; SMN2
Pyrazosulfuron Ethyl SCHEMBL22006 0.87 GAA (0.48) GAAKMT2ACDK1TSHRCYP1A2
Pyrazosulfuron Ethyl SCHEMBL15513045 0.86 GAA (0.47) GAAKMT2ACDK1TSHRCYP1A2
Pyrazosulfuron Ethyl SCHEMBL15524983 0.86 GAA (0.47) GAAKMT2ACDK1TSHRCYP1A2
SCHEMBL116670 0.85 GAA (0.53) GAAKMT2ACDK1TSHRSMN1; SMN2
SCHEMBL9661255 0.85 GAA (0.53) GAAKMT2ACDK1TSHRCYP1A2
Pyrazosulfuron Ethyl SCHEMBL369569 0.84 GAA (0.45) GAAKMT2ACDK1TSHRCYP1A2
Pyrazosulfuron Ethyl SCHEMBL2440654 0.84 GAA (0.45) GAAKMT2ACDK1CYP1A2ALDH1A1
SCHEMBL10361241 0.83 GAA (0.44) GAACDK1TSHRSMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0087780-B2 Pyrazolesulfonylurea derivative, preparation thereof, herbicide containing said derivative as active ingredient and herbicidal method by use thereof NISSAN CHEMICAL IND LTD (JP) 1995-02-15 EP claimed
EP-0087780-B2 Pyrazolesulfonylurea derivative, preparation thereof, herbicide containing said derivative as active ingredient and herbicidal method by use thereof NISSAN CHEMICAL IND LTD (JP) 1995-02-15 EP disclosed
US-4954164-A Pyrazolesulfonylurea derivatives, preparation thereof, herbicide containing said derivative as active ingredient and herbicidal method by use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-04 US disclosed