SCHEMBL9530670

SCHEMBL9530670

Nc1ccc(OC(F)(F)C(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPT P10636 6/20 0.49
TDP1 Q9NUW8 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 2/20 0.46
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.40
CETP P11597 2/20 0.39
ADRB2 P07550 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL203169 0.86 MAPT (0.53) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL10653461 0.84 GPR17 (0.41) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL9527232 0.83 ALDH1A1 (0.50) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL5952155 0.83 MAPT (0.53) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL11442494 0.82 LMNA (0.45) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL4448251 0.82 MAPT (0.49) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL10498825 0.81 ALDH1A1 (0.47) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL9714508 0.80 TDP1 (0.50) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL8611079 0.77 HSPB1 (0.50) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL10497921 0.77 NR4A1 (0.50) ALDH1A1MAPTTDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0553119-A1 HETEROCYCLIC COMPOUNDS ZENECA LIMITED (GB) 1993-08-04 EP disclosed
EP-0134400-B1 FLUOROALKOXYSUBSTITUTED PYRIDYLMETHYLTHIO-(OR SULFINYL-)BENZIMIDAZOLES HAVING A SECRETOLYTIC ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1993-03-24 EP disclosed
US-5187176-A 1-PHENYL SUBSTITUTED PYRIMIDONE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-16 US 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
WO-1992006964-A1 HETEROCYCLIC COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-30 WO disclosed
US-4886516-A Diaminotetrafluoroethoxybenzenes, process for producing same and hair coloring agents containing same WELLA AKTIENGESELLSCHAFT (DE) 1989-12-12 US 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-4845294-A COUPLERS IN OXIDATIVE HAIR COLORING AGENTS WELLA AKTIENGESELLSCHAFT (DE) 1989-07-04 US 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-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