SCHEMBL9686802

SCHEMBL9686802

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
MAPT P10636 9/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.51
MCL1 Q07820 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TDP1 Q9NUW8 5/20 0.38
ALDH1A1 P00352 5/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 1/20 0.38
LMNA P02545 2/20 0.35
MPI P34949 1/20 0.33

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
SCHEMBL9687907 1.00 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL15554220 0.82 CYP1A2 (0.70) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL6989713 0.80 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL9077546 0.80 ALPL (0.32) CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL9687836 0.78 ALPL (0.31) CYP1A2CYP2C9CYP2C19
SCHEMBL10845271 0.76 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL9687338 0.74 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL9686887 0.74 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL6996182 0.70 ALPL (0.35) CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL5478043 0.69 CYP1A2 (0.44) 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 10 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
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-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