SCHEMBL8535915

SCHEMBL8535915

O=C(O)Cn1c(=O)sc2cccc(Cl)c21.O=C(O)Cn1c(=O)sc2cccc(Cl)c21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
AKR1B1 P15121 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
APEX1 P27695 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.39
MCL1 Q07820 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
SCHEMBL54066 1.00 L3MBTL1 (0.46) L3MBTL1HTTKDM4EPKMPTGDR2
SCHEMBL30516260 1.00 L3MBTL1 (0.46) L3MBTL1HTTKDM4EPKMPTGDR2
SCHEMBL20837967 0.98 L3MBTL1 (0.44) L3MBTL1HTTKDM4EPKMPTGDR2
Oxalic Acid SCHEMBL1322867 0.97 L3MBTL1 (0.43) L3MBTL1HTTKDM4EPKMPTGDR2
Dimethylamine SCHEMBL30318944 0.94 L3MBTL1 (0.42) L3MBTL1HTTKDM4EPKMPTGDR2
Dimethylamine SCHEMBL22031846 0.94 L3MBTL1 (0.42) L3MBTL1HTTKDM4EPKMPTGDR2
Ether SCHEMBL10791364 0.91 L3MBTL1 (0.39) L3MBTL1HTTKDM4EPKMPTGDR2
SCHEMBL23008735 0.88 L3MBTL1 (0.42) L3MBTL1HTTKDM4EPKMNPSR1
Valine SCHEMBL17091432 0.87 PTGDR2 (0.36) L3MBTL1HTTKDM4EPKMPTGDR2
Potassium Ion SCHEMBL22031665 0.85 NPSR1 (0.39) L3MBTL1HTTKDM4EPKMNPSR1

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-0574418-B1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1998-11-11 EP disclosed
US-5688745-A Arylsulfonylureas and their use as herbicides and growth regulators HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-18 US disclosed
US-5463081-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
EP-0574418-A1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1993-12-22 EP disclosed
WO-1992013845-A1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-20 WO disclosed
EP-0019796-A1 Propionic acid esters, preparation of these compounds, herbicides containing these compounds as active substances, and the use of such compounds and agents for combating weeds F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-12-10 EP disclosed