SCHEMBL9527341

SCHEMBL9527341

CC(=O)Nc1cc(OC(F)F)c(OC(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.48
NPSR1 Q6W5P4 4/20 0.48
POLB P06746 3/20 0.48
ALDH1A1 P00352 3/20 0.48
XBP1 P17861 2/20 0.48
CCR6 P51684 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GALR2 O43603 1/20 0.48
MITF O75030 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 5/20 0.48
KMT2A Q03164 5/20 0.46
HTT P42858 4/20 0.46
MEN1 O00255 4/20 0.41
PKM P14618 2/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH3A1 P30838 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9528380 0.95 LMNA (0.44) LMNANPSR1POLBALDH1A1XBP1
SCHEMBL9687916 0.91 LMNA (0.48) LMNANPSR1POLBALDH1A1XBP1
SCHEMBL9527822 0.91 NPSR1 (0.45) LMNANPSR1POLBALDH1A1XBP1
SCHEMBL1973802 0.87 NPSR1 (0.48) LMNANPSR1POLBALDH1A1XBP1
SCHEMBL9396485 0.82 MAPT (0.52) LMNANPSR1POLBALDH1A1XBP1
SCHEMBL29370463 0.82 MAPT (0.57) LMNANPSR1POLBALDH1A1SMN1; SMN2
SCHEMBL5952505 0.82 MAPT (0.57) LMNANPSR1POLBALDH1A1SMN1; SMN2
SCHEMBL11005202 0.78 ALDH1A1 (0.44) LMNANPSR1POLBALDH1A1XBP1
SCHEMBL4776320 0.78 POLB (0.44) LMNANPSR1POLBALDH1A1XBP1
SCHEMBL28664013 0.78 MAPT (0.51) LMNANPSR1POLBALDH1A1XBP1

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 8 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-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