SCHEMBL6573886

SCHEMBL6573886

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(Br)ccnc2C(OC)(OC(C)=O)C(C)F)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
CDK1 P06493 1/20 0.37
CYP1A2 P05177 1/20 0.35
NLRP3 Q96P20 1/20 0.33
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 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
SCHEMBL6574281 0.91 GAA (0.46) GAACDK1CYP1A2NLRP3TP53
SCHEMBL6574114 0.90 GAA (0.46) GAACDK1CYP1A2NLRP3TP53
SCHEMBL5999594 0.85 GAA (0.47) GAACDK1CYP1A2NLRP3TP53
SCHEMBL6572729 0.75 GAA (0.48) GAACDK1CYP1A2NLRP3TP53
SCHEMBL27615836 0.75 GAA (0.47) GAACDK1CYP1A2NLRP3TP53
SCHEMBL6865478 0.74 GAA (0.45) GAACDK1CYP1A2NLRP3TP53
SCHEMBL6570573 0.73 GAA (0.45) GAACDK1CYP1A2NLRP3TP53
SCHEMBL6865481 0.72 GAA (0.44) GAACDK1CYP1A2TP53GLA
SCHEMBL6941413 0.71 GAA (0.45) GAACDK1CYP1A2TP53GLA
SCHEMBL6941408 0.70 GAA (0.44) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116298-A1 HERBICIDALLY ACTIVE PYRIDINE SULFONYL UREA DERIVATIVES LG LIFE SCIENCES 2004-06-17 US claimed
EP-1334099-B1 HERBICIDALLY ACTIVE PYRIDINE SULFONYL UREA DERIVATIVES LG CHEM INVESTMENT LTD (KR) 2004-03-10 EP claimed
WO-2020060246-A1 CONTROLLED-RELEASE AGROCHEMICAL GRANULES AND PREPARATION METHOD THEREFOR 주식회사 엘지화학 2020-03-26 WO disclosed
US-6806229-B1 SULFUR COMPOUNDS SUCH AS N-((4,6-DIMETHOXYPYRIMIDIN-2-YL) AMINOCARBONYL)-2-(2-FLUORO-1-METHOXYACTETOXY-N-PROPYL)PYRIDINE -3-SULFONAMIDE AND ISOMERS, USED AS PRE-AND/OR POST-EMERGENCE HERBICIDES LG LIFE SCIENCES (KR) 2004-10-19 US disclosed
US-6762305-B2 PRE- AND/OR POST-EMERGENCE TREATMENT IN RICE FARMING LG LIFE SCIENCES (KR) 2004-07-13 US disclosed
US-20040116298-A1 HERBICIDALLY ACTIVE PYRIDINE SULFONYL UREA DERIVATIVES LG LIFE SCIENCES 2004-06-17 US disclosed
EP-1334099-B1 HERBICIDALLY ACTIVE PYRIDINE SULFONYL UREA DERIVATIVES LG CHEM INVESTMENT LTD (KR) 2004-03-10 EP disclosed