SCHEMBL6866537

SCHEMBL6866537

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
CDK1 P06493 1/20 0.36
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.32
FBP1 P09467 1/20 0.32
TSHR P16473 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
SCHEMBL6870226 0.91 GAA (0.46) GAACDK1TP53GLAMAPT
SCHEMBL6865478 0.90 GAA (0.45) GAACDK1TP53GLAMAPT
SCHEMBL6571100 0.85 GAA (0.46) GAACDK1TP53GLAMAPT
SCHEMBL6943982 0.85 GAA (0.44) GAACDK1TP53GLAMAPT
SCHEMBL6943991 0.79 GAA (0.45) GAACDK1TP53GLAMAPT
SCHEMBL6571677 0.78 GAA (0.46) GAACDK1TP53GLAMAPT
SCHEMBL6570561 0.75 GAA (0.45) GAACDK1TP53GLAMAPT
SCHEMBL6947087 0.75 GAA (0.45) GAACDK1TP53GLAMAPT
SCHEMBL6866540 0.75 GAA (0.44) GAACDK1TP53GLAMAPT
SCHEMBL6941408 0.75 GAA (0.44) GAACDK1TP53GLAMAPT

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