SCHEMBL9528675

SCHEMBL9528675

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.40
TDP1 Q9NUW8 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
HSPB1 P04792 2/20 0.37
ATM Q13315 1/20 0.36
LMNA P02545 3/20 0.36
GAA P10253 1/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 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
SCHEMBL29739355 0.85 ATM (0.43) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL9391349 0.83 MAPT (0.46) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL9687372 0.83 TSHR (0.44) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL9531415 0.81 ALDH1A1 (0.46) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL17542594 0.81 TDP1 (0.40) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL9447594 0.80 ALDH1A1 (0.39) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL3991945 0.80 HTT (0.49) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL30164317 0.80 HTT (0.49) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL671869 0.79 LMNA (0.44) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL3550951 0.78 ALDH1A1 (0.44) MAPTTDP1MEN1KMT2AALDH1A1

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 9 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
EP-0134400-A2 Fluoroalkoxysubstituted pyridylmethylthio-(or sulfinyl-)benzimidazoles having a secretolytic activity Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1985-03-20 EP disclosed