SCHEMBL6865478

SCHEMBL6865478

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(Br)ccnc2CC(C)OC(=O)C(F)CO)n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
CDK1 P06493 1/20 0.36
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.30
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL6870226 0.91 GAA (0.46) GAACDK1MAPTTP53GLA
SCHEMBL6866537 0.90 GAA (0.45) GAACDK1MAPTTP53GLA
SCHEMBL6571100 0.85 GAA (0.46) GAACDK1MAPTTP53GLA
SCHEMBL6941408 0.85 GAA (0.44) GAACDK1MAPTTP53GLA
SCHEMBL6941413 0.79 GAA (0.45) GAACDK1MAPTTP53GLA
SCHEMBL6571677 0.78 GAA (0.46) GAACDK1MAPTTP53GLA
SCHEMBL6570573 0.75 GAA (0.45) GAACDK1MAPTTP53GLA
SCHEMBL6947087 0.75 GAA (0.45) GAACDK1MAPTTP53GLA
SCHEMBL6865481 0.75 GAA (0.44) GAACDK1MAPTTP53GLA
SCHEMBL6943982 0.75 GAA (0.44) 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 1 patent. 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