SCHEMBL8536694

SCHEMBL8536694

O=[N+]([O-])c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1.O=[N+]([O-])c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.51
PDE7A Q13946 1/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MYOC Q99972 1/20 0.45
KDM4E B2RXH2 1/20 0.44
SRD5A2 P31213 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
PTPN7 P35236 1/20 0.43
PTPN12 Q05209 1/20 0.43

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
SCHEMBL39135 1.00 HSPB1 (0.51) HSPB1PDE7AMEN1KMT2AALDH1A1
Nitrofen SCHEMBL5921708 0.90 PDE7A (0.60) HSPB1PDE7AMEN1KMT2AALDH1A1
SCHEMBL135528 0.89 HSPB1 (0.53) HSPB1PDE7AMEN1KMT2AALDH1A1
SCHEMBL30606813 0.89 HSPB1 (0.53) HSPB1PDE7AMEN1KMT2AALDH1A1
SCHEMBL3990252 0.87 PDE7A (0.49) HSPB1PDE7AMEN1KMT2AALDH1A1
SCHEMBL3986085 0.87 HTT (0.53) HSPB1PDE7AMEN1KMT2AALDH1A1
SCHEMBL11591880 0.87 PDE7A (0.60) HSPB1PDE7AMEN1KMT2AALDH1A1
SCHEMBL9674617 0.86 PDE7A (0.50) HSPB1PDE7AMEN1KMT2AALDH1A1
SCHEMBL8504005 0.85 PDE7A (0.43) HSPB1PDE7AMEN1KMT2AALDH1A1
SCHEMBL5387132 0.84 PTPN7 (0.58) HSPB1PDE7AMEN1KMT2AALDH1A1

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 7 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
WO-1992013861-A1 HERBICIDAL BICYCLIC ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-20 WO disclosed
WO-1992010501-A1 HERBICIDAL ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-25 WO disclosed
WO-1992009587-A1 HERBICIDAL OXAZINE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 WO disclosed
WO-1992009578-A1 SUBSTITUTED FUSED HETEROCYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 WO disclosed