SCHEMBL6571100

SCHEMBL6571100

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cccnc2CC(C)OC(=O)C(F)CO)n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
CDK1 P06493 1/20 0.41
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.33

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
SCHEMBL6571677 0.92 GAA (0.46) GAACDK1MAPTTP53GLA
SCHEMBL6056520 0.88 GAA (0.51) GAACDK1MAPTTP53GLA
SCHEMBL5612024 0.88 GAA (0.53) GAACDK1MAPTTP53GLA
SCHEMBL6870226 0.86 GAA (0.46) GAACDK1MAPTTP53GLA
SCHEMBL6865478 0.85 GAA (0.45) GAACDK1MAPTTP53GLA
SCHEMBL6866537 0.85 GAA (0.45) GAACDK1MAPTTP53GLA
SCHEMBL8539314 0.84 GAA (0.49) GAACDK1MAPTTP53GLA
SCHEMBL7131364 0.84 GAA (0.46) GAACDK1MAPTTP53GLA
SCHEMBL4446354 0.82 GAA (0.46) GAACDK1MAPTTP53GLA
SCHEMBL19743615 0.81 GAA (0.48) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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
EP-1334099-A1 HERBICIDALLY ACTIVE PYRIDINE SULFONYL UREA DERIVATIVES LG Chem Investment Ltd. (KR) 2003-08-13 EP disclosed
EP-1334099-A4 HERBICIDALLY ACTIVE PYRIDINE SULFONYL UREA DERIVATIVES LG CHEM INVESTMENT LTD (KR) 2003-08-13 EP disclosed
WO-2002030921-A1 HERBICIDALLY ACTIVE PYRIDINE SULFONYL UREA DERIVATIVES LG CHEM INVESTMENT LTD. (KR) 2002-04-18 WO disclosed