SCHEMBL16972709

SCHEMBL16972709

CCc1c(-c2ccc(N3CC/C(=N/OC)C3)cc2)[nH]c(=O)c2c(=O)[nH]sc12

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.59
SYK P43405 1/20 0.37
DCTPP1 Q9H773 1/20 0.34
GSK3B P49841 1/20 0.32
TLR9 Q9NR96 2/20 0.31
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 2/20 0.31

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
SCHEMBL16972693 0.89 KCNH2 (0.61) KCNH2DCTPP1
SCHEMBL16972695 0.89 KCNH2 (0.61) KCNH2DCTPP1
SCHEMBL16972700 0.77 KCNH2 (0.64) KCNH2DCTPP1TLR9TLR8TLR7
SCHEMBL16984241 0.76 KCNH2 (0.76) KCNH2SYK
SCHEMBL16972717 0.76 KCNH2 (0.76) KCNH2SYK
SCHEMBL16972707 0.74 KCNH2 (0.73) KCNH2
SCHEMBL16984195 0.74 KCNH2 (0.73) KCNH2
SCHEMBL16972703 0.74 KCNH2 (1.00) KCNH2SYKTLR9TLR8TLR7
SCHEMBL16984191 0.74 KCNH2 (0.72) KCNH2DCTPP1
SCHEMBL16972673 0.73 KCNH2 (0.66) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015114317-A1 5H-ISOTHIAZOLO[4,5-C]PYRIDINE-3,4-DIONE OR 5H-PYRAZOLO[4,3-C]PYRIDIN-3,4-DIONE AS ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2015-08-06 WO disclosed