SCHEMBL6947091

SCHEMBL6947091

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
CDK1 P06493 1/20 0.37
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
FBP1 P09467 3/20 0.34
CYP1A2 P05177 1/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL6941413 0.91 GAA (0.45) GAACDK1TP53GLAMAPT
SCHEMBL6943991 0.91 GAA (0.45) GAACDK1TP53GLAMAPT
SCHEMBL6870226 0.78 GAA (0.46) GAACDK1TP53GLAMAPT
SCHEMBL6870227 0.74 GAA (0.45) GAACDK1TP53GLAMAPT
SCHEMBL6947087 0.74 GAA (0.45) GAACDK1TP53GLAMAPT
SCHEMBL27615828 0.72 GAA (0.46) GAACDK1TP53GLAMAPT
SCHEMBL6572791 0.72 GAA (0.46) GAACDK1TP53GLAMAPT
SCHEMBL6574281 0.71 GAA (0.46) GAACDK1TP53GLAMAPT
SCHEMBL13044795 0.70 GAA (0.55) GAACDK1TP53GLAMAPT
SCHEMBL6865478 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-A1 HERBICIDALLY ACTIVE PYRIDINE SULFONYL UREA DERIVATIVES LG Chem Investment Ltd. (KR) 2003-08-13 EP claimed
EP-1334099-A4 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-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