SCHEMBL6941413

SCHEMBL6941413

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(Br)ccnc2CCCOC(=O)C(F)OC)n1

nearest known ligand 0.45

Predicted protein targets (top 9)

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
CYP1A2 P05177 1/20 0.32
FBP1 P09467 3/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 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
SCHEMBL6947091 0.91 GAA (0.46) GAACDK1TP53GLAMAPT
SCHEMBL6943991 0.90 GAA (0.45) GAACDK1TP53GLAMAPT
SCHEMBL6865478 0.79 GAA (0.45) GAACDK1TP53GLAMAPT
SCHEMBL6865481 0.76 GAA (0.44) GAACDK1TP53GLAMAPT
SCHEMBL6941408 0.75 GAA (0.44) GAACDK1TP53GLAMAPT
SCHEMBL6570573 0.74 GAA (0.45) GAACDK1TP53GLAMAPT
SCHEMBL27615828 0.72 GAA (0.46) GAACDK1TP53GLAMAPT
SCHEMBL6573886 0.71 GAA (0.46) GAACDK1TP53GLAMAPT
SCHEMBL6870226 0.69 GAA (0.46) GAACDK1TP53GLAMAPT
SCHEMBL6866537 0.69 GAA (0.45) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

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