SCHEMBL21246925

SCHEMBL21246925

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(C(=O)O)cnn2C)n1.Clc1cnccn1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
CDK1 P06493 1/20 0.38
CYP1A2 P05177 1/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
S1PR2 O95136 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
CHEK1 O14757 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NLRP3 Q96P20 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
SCHEMBL116670 0.89 GAA (0.53) GAACDK1CYP1A2TP53GLA
Picloram SCHEMBL20723803 0.82 GAA (0.43) GAACDK1CYP1A2TP53GLA
3,6 Dichloromethoxybenzoic Acid SCHEMBL20723789 0.82 GAA (0.45) GAACDK1CYP1A2TP53GLA
Pyrazosulfuron Ethyl SCHEMBL2440654 0.81 GAA (0.45) GAACDK1CYP1A2TP53GLA
SCHEMBL9661255 0.81 GAA (0.53) GAACDK1CYP1A2TP53GLA
SCHEMBL1535829 0.81 GAA (0.53) GAACDK1CYP1A2TP53GLA
Quinclorac SCHEMBL20723838 0.80 GAA (0.41) GAACDK1CYP1A2TP53GLA
Quinmerac SCHEMBL20723828 0.80 GAA (0.41) GAACDK1TP53GLAMAPT
Rimsulfuron SCHEMBL3204999 0.78 GAA (0.42) GAACDK1CYP1A2TP53GLA
SCHEMBL9660372 0.78 GAA (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019153952-A1 HERBICIDE TOLERANCE PROTEIN, ENCODING GENE THEREOF AND USE THEREOF 北京大北农生物技术有限公司 2019-08-15 WO claimed