SCHEMBL8534937

SCHEMBL8534937

Clc1cc(Cl)cc(C2(CC(Cl)(Cl)Cl)CO2)c1.Clc1cc(Cl)cc(C2(CC(Cl)(Cl)Cl)CO2)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRND Q07001 1/20 0.34
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
SCHEMBL9173333 1.00 CHRNA1 (0.34) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
Acetic Acid SCHEMBL9088214 0.90 CHRNA1 (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL10551039 0.88
SCHEMBL9577872 0.85 CHRNA1 (0.36) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL11207668 0.85 CHRNA1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL10565016 0.82 CHRNA1 (0.31) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL9577875 0.82 HTR2C (0.41) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL10486206 0.81 CHRNA1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL11067725 0.81
SCHEMBL10434640 0.81 UTS2R (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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 17 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-0463054-A1 SELECTIVE OXABICYCLOALKANES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-01-02 EP disclosed
EP-0457802-A1 HERBICIDAL OXABICYCLONONANE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-11-27 EP disclosed
WO-1991015478-A1 CROP-SELECTIVE HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-17 WO disclosed
WO-1991010653-A1 HERBICIDAL PYRIMIDINES AND TRIAZINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-25 WO disclosed
WO-1991010668-A1 HERBICIDAL SULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-25 WO disclosed
WO-1991003464-A1 HERBICIDAL OXABICYCLO ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-03-21 WO disclosed
WO-1990012012-A1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-10-18 WO disclosed
WO-1990010634-A1 SELECTIVE OXABICYCLOALKANES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-09-20 WO disclosed
WO-1990009383-A1 HERBICIDAL OXABICYCLONONANE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-08-23 WO disclosed
EP-0334896-A1 HERBICIDAL PYRIDINESULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-04 EP disclosed
WO-1989001937-A1 HERBICIDAL PYRIDINESULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-09 WO disclosed
WO-1988004297-A1 HERBICIDAL PYRIDINESULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-06-16 WO disclosed