SCHEMBL9527232

SCHEMBL9527232

Nc1ccc(OC(F)(F)Cl)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPT P10636 6/20 0.50
TDP1 Q9NUW8 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 2/20 0.47
MPI P34949 1/20 0.46
PHOSPHO1 Q8TCT1 1/20 0.46
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PDE7A Q13946 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL203169 0.87 MAPT (0.53) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL4448251 0.83 MAPT (0.49) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL9530670 0.83 ALDH1A1 (0.49) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL11281435 0.79 TSHR (0.51) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL29776250 0.78 ALDH1A1 (0.62) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL866003 0.78 ALDH1A1 (0.62) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL5952155 0.78 MAPT (0.53) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL9527470 0.77 ALDH1A1 (0.50) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL10912860 0.76 HSPB1 (0.52) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL10498825 0.76 ALDH1A1 (0.47) ALDH1A1MAPTTDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0134400-B1 FLUOROALKOXYSUBSTITUTED PYRIDYLMETHYLTHIO-(OR SULFINYL-)BENZIMIDAZOLES HAVING A SECRETOLYTIC ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1993-03-24 EP 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-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-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-0201575-A1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM. BYK GULDEN LOMBERG CHEM FAB (DE) 1986-11-20 EP disclosed
WO-1986002646-A1 NEW PICOLINE DERIVATIVES, 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