SCHEMBL9835758

SCHEMBL9835758

Cc1cnc(CO)c(C)c1OCC(F)(F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.42
SARM1 Q6SZW1 1/20 0.38
ATP4A P20648 3/20 0.33
ATP4B P51164 3/20 0.33
NUDT1 P36639 1/20 0.33
AGBL2 Q5U5Z8 1/20 0.31
LNPEP Q9UIQ6 1/20 0.31
FTO Q9C0B1 1/20 0.31
PDE10A Q9Y233 1/20 0.30
HSP90AA1 P07900 2/20 0.30
TRAP1 Q12931 2/20 0.30
SHMT2 P34897 1/20 0.30
WDR5 P61964 1/20 0.30
KMT2A Q03164 1/20 0.30
HSP90AB1 P08238 1/20 0.30
HSP90B1 P14625 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
SCHEMBL28643701 0.88 SARM1 (0.47) AGXTSARM1ATP4AATP4BNUDT1
SCHEMBL8910240 0.77 AGXT (0.49) AGXTSARM1ATP4AATP4BLNPEP
SCHEMBL1060082 0.77 AGXT (0.66) AGXTSARM1ATP4AATP4BFTO
SCHEMBL29382857 0.77 AGXT (0.66) AGXTSARM1ATP4AATP4BFTO
Hydrochloric Acid SCHEMBL3247161 0.75 AGXT (0.64) AGXTSARM1ATP4AATP4BFTO
SCHEMBL8500701 0.73 AGXT (0.45) AGXTSARM1ATP4AATP4BLNPEP
SCHEMBL6740782 0.73 NPC1 (0.40) SARM1ATP4AATP4BWDR5KMT2A
SCHEMBL3182871 0.72 AGXT (0.44) AGXTATP4AATP4BLNPEPPDE10A
SCHEMBL9793484 0.72 AGXT (0.44) AGXTATP4AATP4BPDE10AHSP90AA1
Hydrochloric Acid SCHEMBL8977353 0.71 SARM1 (0.46) AGXTSARM1ATP4AATP4BAGBL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233760-B1 SULFENAMIDE DERIVATIVES AND THEIR PRODUCTION Takeda Chemical Industries, Ltd. (JP) 1991-05-15 EP disclosed
EP-0174726-B1 PYRIDINE DERIVATIVES AND THEIR PRODUCTION Takeda Chemical Industries, Ltd. (JP) 1989-04-26 EP disclosed
US-4769456-A ANTIULCER AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-09-06 US disclosed
EP-0233760-A1 Sulfenamide derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1987-08-26 EP disclosed
US-4689333-A ANTIULCER AGENTS, CASTRITIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-08-25 US disclosed
US-4628098-A Including Prevacid (TM) lansoprazole, 2-(3-methyl-4-(2,2,2-trifluoroethoxy)-5-methyl-pyrid-2 -yl)methylsulfinylbenzimidazole; proton pump inhibitors, antiulcer, antisecretory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-12-09 US disclosed
EP-0174726-A1 Pyridine derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1986-03-19 EP disclosed