SCHEMBL9687338

SCHEMBL9687338

Nc1cc2c(cc1[N+](=O)[O-])OC(F)C(F)(F)O2

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
MAPT P10636 9/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
MCL1 Q07820 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TDP1 Q9NUW8 5/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
MPI P34949 1/20 0.32
LMNA P02545 2/20 0.32
GPR35 Q9HC97 1/20 0.30

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
SCHEMBL9686887 1.00 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL15554220 0.80 CYP1A2 (0.70) CYP1A2CYP2C9CYP2C19MAPTMEN1
Hydrochloric Acid SCHEMBL9687370 0.80
SCHEMBL9686705 0.76 NPSR1 (0.41) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL9686802 0.74 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL9687907 0.74 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL10845271 0.73 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL10845947 0.73 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL14007744 0.67 MAPT (0.42) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL10668440 0.67 MAPT (0.62) CYP1A2CYP2C9CYP2C19MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0127763-B1 TRICYCLIC ETHERS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICAMENTS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1990-01-24 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
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-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
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-4560693-A ANTISECRETORY, ANTIULCER AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1985-12-24 US disclosed
EP-0127763-A1 Tricyclic ethers, process for their preparation, their use and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1984-12-12 EP disclosed