SCHEMBL8535697

SCHEMBL8535697

C#CC(C)N(C(=O)CCl)c1ccccc1.C#CC(C)N(C(=O)CCl)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.69
LMNA P02545 5/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
TP53 P04637 1/20 0.69
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
HTT P42858 6/20 0.50
KMT2A Q03164 6/20 0.50
NPSR1 Q6W5P4 2/20 0.50
POLB P06746 1/20 0.50
PAX8 Q06710 5/20 0.44
GLA P06280 1/20 0.44
JAK2 O60674 2/20 0.42
MAPT P10636 1/20 0.40
MEN1 O00255 3/20 0.40
MITF O75030 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAOB P27338 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
TRPA1 O75762 1/20 0.38

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
SCHEMBL134456 1.00 ALDH1A1 (0.69) ALDH1A1LMNASMN1; SMN2TP53NPC1
SCHEMBL29394842 1.00 ALDH1A1 (0.69) ALDH1A1LMNASMN1; SMN2TP53NPC1
Piperazine SCHEMBL27507134 0.92 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2TP53NPC1
SCHEMBL28125002 0.87 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2TP53NPC1
SCHEMBL27559406 0.86 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2TP53NPC1
SCHEMBL28851486 0.84 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2TP53NPC1
SCHEMBL8842631 0.82 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2TP53NPC1
Propachlor SCHEMBL65571 0.82 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2TP53NPC1
SCHEMBL2763318 0.82 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2TP53NPC1
Propachlor SCHEMBL1701162 0.82 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2TP53NPC1

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 16 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
WO-1992013861-A1 HERBICIDAL BICYCLIC ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-20 WO disclosed
WO-1992004827-A1 HERBICIDAL SUBSTITUTED BICYCLIC TRIAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-02 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