SCHEMBL7013448

SCHEMBL7013448

COc1cc(OC)nc(CC(=O)O)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 2/20 0.47
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
PTGS1 P23219 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
CTSA P10619 1/20 0.39

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
SCHEMBL9461180 0.89 ALDH1A1 (0.44) ALDH1A1KDM4ECYP1A2LMNATDP1
SCHEMBL5092329 0.86 CYP1A2 (0.48) ALDH1A1KDM4ECYP1A2LMNATDP1
SCHEMBL1720666 0.84 CYP1A2 (0.52) ALDH1A1KDM4ECYP1A2LMNATDP1
SCHEMBL8943069 0.82 CYP1A2 (0.46) ALDH1A1KDM4ECYP1A2LMNATDP1
SCHEMBL8686002 0.82 CYP1A2 (0.50) ALDH1A1KDM4ECYP1A2LMNATDP1
SCHEMBL3444212 0.82 PTGS1 (0.53) ALDH1A1KDM4ECYP1A2LMNATDP1
SCHEMBL1921603 0.81 THRB (0.45) ALDH1A1CYP1A2SMN1; SMN2GLAMAPT
SCHEMBL5717600 0.81 KDM4E (0.47) ALDH1A1KDM4ECYP1A2LMNATDP1
SCHEMBL5025130 0.81 CYP1A2 (0.44) ALDH1A1KDM4ECYP1A2LMNATDP1
SCHEMBL8943071 0.80 KDM4E (0.41) ALDH1A1KDM4ECYP1A2LMNATDP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0353640-B2 Heterocyclic N-acylsulphonamides, process for their preparation, agents containing them and their use as herbicides and plant growth regulators BAYER CROPSCIENCE GMBH (DE) 2003-10-15 EP disclosed
EP-0353640-B1 Heterocyclic N-acylsulphonamides, process for their preparation, agents containing them and their use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (DE) 1995-04-12 EP disclosed
US-5317005-A Pyrimidinyl and triazinyl herbicides SCHERING AGROCHEMICALS LIMITED (GB) 1994-05-31 US disclosed
EP-0539427-A1 PYRIMIDINYL AND TRIAZINYL HERBICIDES AgrEvo UK Limited (GB) 1993-05-05 EP disclosed
US-5186736-A Pre- and postemergence HOECHST AKTIENGESELLSCHAFT (DE) 1993-02-16 US disclosed
WO-1992001677-A1 PYRIMIDINYL AND TRIAZINYL HERBICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-02-06 WO disclosed
US-5053072-A HETEROCYCLIC N-ACYLSULFONAMIDES, AND THEIR USE AS HERBICIDES OR GROWTH REGULATORS HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-01 US disclosed
EP-0353640-A2 Heterocyclic N-acylsulphonamides, process for their preparation, agents containing them and their use as herbicides and plant growth regulators Hoechst Schering AgrEvo GmbH (DE) 1990-02-07 EP disclosed