SCHEMBL9688017

SCHEMBL9688017

Nc1c([N+](=O)[O-])ccc2c1OC(F)(F)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 6/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.35
ADORA2A P29274 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TTR P02766 1/20 0.33
ALB P02768 1/20 0.33
THRB P10828 1/20 0.33
POLB P06746 2/20 0.33
MCL1 Q07820 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL8975989 0.77 TDP1 (0.42) ALDH1A1MAPTTXNRD1TXNRD3TXNRD2
SCHEMBL15554220 0.71 CYP1A2 (0.70) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL16798562 0.70 ADORA2A (0.38) ADORA2A
SCHEMBL21603470 0.70 ADORA2A (0.43) MAPTADORA2AMEN1KMT2APOLB
SCHEMBL15220550 0.70 TDP1 (0.56) ALDH1A1MAPTTDP1TSHRMAPK1
SCHEMBL4596890 0.68 TDP1 (0.47) ALDH1A1MAPTTXNRD1TXNRD3TXNRD2
SCHEMBL11108047 0.67 TDP1 (0.54) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL10431416 0.66 CYP1A2 (0.45) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL9230962 0.66 ALDH1A1 (0.43) ALDH1A1MAPTTXNRD1TXNRD3TXNRD2
SCHEMBL30330229 0.66 ALDH1A1 (0.43) ALDH1A1MAPTTXNRD1TXNRD3TXNRD2

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-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
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