SCHEMBL95604

SCHEMBL95604

O=[C]Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMO O15229 2/20 0.41
APEX1 P27695 1/20 0.39
AHR P35869 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HAO1 Q9UJM8 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL2091614 0.81 PPARG (0.42) TDP1SLC6A4KMT2AALDH1A1PPARG
SCHEMBL11308570 0.81 MCL1 (0.50) TDP1SLC6A4TP53MEN1KMT2A
SCHEMBL2089132 0.78 CA12 (0.41) TP53MEN1KMT2AALDH1A1LMNA
SCHEMBL12878122 0.77 HSP90AA1 (0.44) HSP90AA1SLC6A2SLC6A4SLC6A3KMO
SCHEMBL17352144 0.77 PPARG (0.46) PPARGPPARALMNA
SCHEMBL8142070 0.74 CA2 (0.32)
SCHEMBL96632 0.73 MEN1 (0.43) MAPK1TDP1MEN1KMT2AALDH1A1
SCHEMBL9595045 0.72 HSP90AA1 (0.40) HSP90AA1MAPK1TDP1SLC6A2SLC6A4
SCHEMBL97501 0.72 KDM4E (0.49) HSP90AA1MEN1KMT2AKDM4EALDH1A1
SCHEMBL21820786 0.72 HSP90AA1 (0.71) HSP90AA1SLC6A2SLC6A4SLC6A3KMO

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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354297-B1 THIADIAZINES, PROCESS FOR PRODUCTION THEREOF, AND INSECTICIDAL AND ACARICIDAL AGENTS COMPRISING THE THIADIAZINES MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-08-05 EP claimed
EP-2719688-B1 Process for producing tetrazolyloxime derivatives NIPPON SODA CO (JP) 2016-07-20 EP disclosed
EP-2719686-B1 Process to halogenate a picoline derivative NIPPON SODA CO (JP) 2015-12-02 EP disclosed
EP-2719687-B1 Process to make a bromopicoline derivative NIPPON SODA CO (JP) 2015-09-16 EP disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
US-9018385-B2 Compound containing pyridine ring and method for producing halogenated picoline derivative and tetrazolyloxime derivative NIPPON SODA CO., LTD. (JP) 2015-04-28 US disclosed
US-9012653-B2 Compound containing pyridine ring and method for producing halogenated picoline derivative and tetrazolyloxime derivative NIPPON SODA CO., LTD. (JP) 2015-04-21 US disclosed
US-9000178-B2 Compound containing pyridine ring and method for producing halogenated picoline derivative and tetrazolyloxime derivative NIPPON SODA CO., LTD. (JP) 2015-04-07 US disclosed
US-8962848-B2 Compound containing pyridine ring and method for producing halogenated picoline derivative and tetrazolyloxime derivative NIPPON SODA CO., LTD. (JP) 2015-02-24 US disclosed
US-8841458-B2 Compound containing pyridine ring and method for producing halogenated picoline derivative and tetrazolyloxime derivative NIPPON SODA CO., LTD. (JP) 2014-09-23 US disclosed
US-4496391-A Herbicides containing 3-aryl-5-methylpyrazole-4-carboxylic acid esters, their manufacture and use BASF AKTIENGESELLSCHAFT (DE) 1985-01-29 US disclosed
US-4424363-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1984-01-03 US disclosed
US-4401821-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1983-08-30 US disclosed
US-4354031-A HERBICIDES BASF ATIENGESELLSCHAFT (DE) 1982-10-12 US disclosed
EP-0019760-B1 ESTERS OF 3-ARYL-5-METHYL-PYRAZOLE-4-CARBOXYLIC ACID, HERBICIDES CONTAINING THEM, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF Aktiengesellschaft (DE) 1982-06-23 EP disclosed
US-4316039-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US disclosed
US-4260775-A Substituted 3-aminopyrazoles BASF AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed
US-4259350-A PROTECTING DEGRADABLE ORGANIC MATERIAL FROM FUNGAL OR INSECT ATTACK SANKYO COMPANY LIMITED (JP) 1981-03-31 US disclosed
EP-0019760-A1 Esters of 3-aryl-5-methyl-pyrazole-4-carboxylic acid, herbicides containing them, process for their preparation and their use BASF Aktiengesellschaft (DE) 1980-12-10 EP disclosed
EP-0002180-A1 Substituted 3-aminopyrazoles, herbicides containing them and method for controlling undesirable growth of plants BASF Aktiengesellschaft (DE) 1979-06-13 EP disclosed