SCHEMBL8304476

SCHEMBL8304476

FC(F)(F)COc1ccc2[nH]c(S)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.40
CYP2C9 P11712 4/20 0.40
CYP17A1 P05093 3/20 0.40
CYP2C19 P33261 3/20 0.40
ATP4A P20648 3/20 0.38
ATP4B P51164 3/20 0.38
ATP1A1 P05023 2/20 0.38
ATP1B1 P05026 2/20 0.38
ATP1A3 P13637 2/20 0.38
ATP1B2 P14415 2/20 0.38
ATP1A2 P50993 2/20 0.38
ATP1B3 P54709 2/20 0.38
FXYD2 P54710 2/20 0.38
ATP1A4 Q13733 2/20 0.38
GPR3 P46089 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PRCP P42785 2/20 0.35
NPC1 O15118 2/20 0.34

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
SCHEMBL10374634 0.84 ATP4A (0.40) CACNA1BCYP2C9CYP17A1CYP2C19ATP4A
SCHEMBL16883839 0.84 USP2 (0.33) CACNA1BMAPTNPC1RAB9AMEN1
SCHEMBL9676432 0.84 NPSR1 (0.50) CACNA1BCYP2C9CYP17A1CYP2C19ATP4A
SCHEMBL2108293 0.80 RUNX1 (0.43) CYP2C9GPR3KDM4ENPC1RAB9A
SCHEMBL917237 0.80 HSD17B10 (0.49) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL17292670 0.79 HSD17B10 (0.47) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL9531062 0.78 USP30 (0.36) CYP2C9CYP2C19ALDH1A1MAPTKDM4E
SCHEMBL16134720 0.78 KDM4E (0.43) CYP2C9CYP2C19ATP4AATP4BMAPT
SCHEMBL9456203 0.77 TRPV1 (0.45) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9828063 0.75 SLC6A2 (0.43) CYP2C9MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0683776-B1 SUBSTITUTED HETEROARYLALKYLTHIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEM FAB (DE) 1999-04-07 EP disclosed
US-5587389-A Substituted heteroarylaklylthiopyridines for controlling helicobacter bacteria BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-12-24 US disclosed
EP-0683776-A1 SUBSTITUTED HETEROARYLALKYLTHIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1995-11-29 EP disclosed
WO-1994019346-A1 SUBSTITUTED HETEROARYLALKYLTHIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1994-09-01 WO 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
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
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