SCHEMBL9526483

SCHEMBL9526483

CC(=O)Nc1ccc(OC(F)F)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.52
ALDH1A1 P00352 4/20 0.52
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RECQL P46063 1/20 0.49
EPHX2 P34913 1/20 0.48
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
HTR1E P28566 1/20 0.46
HTT P42858 1/20 0.46
S1PR3 Q99500 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FFAR1 O14842 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
PYGL P06737 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL9527028 0.87 RORC (0.55) RORCALDH1A1NPSR1MAPTMEN1
SCHEMBL3715126 0.86 MAPT (0.51) ALDH1A1NPSR1MAPTMEN1KMT2A
SCHEMBL23624052 0.85 EPHX2 (0.52) ALDH1A1NPSR1MAPTMEN1KMT2A
SCHEMBL30675569 0.83 SMN1; SMN2 (0.60) RORCALDH1A1MAPTMEN1KMT2A
SCHEMBL13811509 0.83 RORC (0.76) RORCALDH1A1NPSR1MAPTMEN1
SCHEMBL9525993 0.83 SMN1; SMN2 (0.60) RORCALDH1A1MAPTMEN1KMT2A
SCHEMBL2192767 0.82 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2AEPHX2
SCHEMBL23185805 0.81 EPHX2 (0.49) ALDH1A1NPSR1MAPTMEN1KMT2A
SCHEMBL3701811 0.81 SMN1; SMN2 (0.56) RORCALDH1A1MAPTMEN1KMT2A
SCHEMBL9447549 0.81 ALDH1A1 (0.75) RORCALDH1A1NPSR1MAPTMEN1

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 10 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