SCHEMBL8611079

SCHEMBL8611079

O=[N+]([O-])c1ccc(OC(F)(F)C(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.50
CETP P11597 1/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 2/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MAPT P10636 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MAPK1 P28482 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MYOC Q99972 1/20 0.44
HTT P42858 3/20 0.43
TP53 P04637 2/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
CA5A P35218 1/20 0.42

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
SCHEMBL1360933 0.88 HSD17B10 (0.55) HSPB1CETPCA1CA2CA9
SCHEMBL10931692 0.88 HSPB1 (0.46) HSPB1CETPCA1CA2CA9
SCHEMBL10933272 0.88 HSPB1 (0.46) HSPB1CETPCA1CA2CA9
SCHEMBL7676293 0.84 CETP (0.38) HSPB1CETPCA1CA2CA9
SCHEMBL693976 0.82 HSPB1 (0.55) HSPB1CA1CA2CA9CES2
SCHEMBL9325813 0.81 HSPB1 (0.53) HSPB1CA1CA2CA9CES2
SCHEMBL9190260 0.80 TSHR (0.50) CETPMAPTMEN1KMT2ANPSR1
SCHEMBL1907911 0.79 ALDH1A1 (0.48) CETPMAPTHTTALDH1A1HSD17B10
SCHEMBL10912860 0.79 HSPB1 (0.52) HSPB1CA1CA2CA9CES2
SCHEMBL10773169 0.79 HSPB1 (0.52) HSPB1CA1CA2CA9CES2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5086037-A None JP disclosed
US-5817876-A ONE POT; REACTING AN NITROARENE WITH A CARBONYL COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed
EP-0553119-A1 HETEROCYCLIC COMPOUNDS ZENECA LIMITED (GB) 1993-08-04 EP disclosed
JP-H0586037-A MERCAPTOBENZIMIDAZOLE BYK GULDEN LOMBERG CHEM FAB GMBH 1993-04-06 JP disclosed
US-5187176-A 1-PHENYL SUBSTITUTED PYRIMIDONE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-16 US disclosed
EP-0201575-B1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1992-08-12 EP disclosed
EP-0491968-A1 Process for the preparation of N-alkyl-fluoroanilines BAYER AG (DE) 1992-07-01 EP disclosed
WO-1992006964-A1 HETEROCYCLIC COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-30 WO disclosed
US-4886516-A Diaminotetrafluoroethoxybenzenes, process for producing same and hair coloring agents containing same WELLA AKTIENGESELLSCHAFT (DE) 1989-12-12 US disclosed
EP-0166287-B1 DIALKOXYRIDINES, PROCESS FOR THEIR PREPARATION, THEIR APPLICATION AND MEDICAMENTS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1989-08-23 EP disclosed
US-4845294-A COUPLERS IN OXIDATIVE HAIR COLORING AGENTS WELLA AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed
US-4758579-A e.g. pantoprazole or pantoprazole sodium BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1988-07-19 US disclosed
US-4686230-A Picoline derivative useful as gastric acid secretion inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-08-11 US disclosed
EP-0200777-A1 NEW AMINO COMPOUNDS, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-11-12 EP disclosed
WO-1986002645-A1 NEW AMINO COMPOUNDS, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT M (DE) 1986-05-09 WO disclosed
EP-0166287-A1 Dialkoxyridines, process for their preparation, their application and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-01-02 EP disclosed
US-4555518-A ANTIULCER AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1985-11-26 US disclosed
EP-0134400-A2 Fluoroalkoxysubstituted pyridylmethylthio-(or sulfinyl-)benzimidazoles having a secretolytic activity Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1985-03-20 EP disclosed
EP-0063873-A1 Haloalkoxy-substituted diphenyl ethers; their use as herbicides and in herbicidal compositions and processes of making them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-03 EP disclosed