SCHEMBL16984191

SCHEMBL16984191

CCc1c(-c2ccc(N3CCC(C(C)(C)N)C3)cc2)[nH]c(=O)c2c(=O)[nH]sc12

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.72
DCTPP1 Q9H773 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
SCHEMBL16984187 0.86 KCNH2 (0.53) KCNH2
SCHEMBL16972717 0.85 KCNH2 (0.76) KCNH2
SCHEMBL16984241 0.85 KCNH2 (0.76) KCNH2
SCHEMBL16972703 0.84 KCNH2 (1.00) KCNH2
SCHEMBL16984195 0.84 KCNH2 (0.73) KCNH2
SCHEMBL16972707 0.84 KCNH2 (0.73) KCNH2
SCHEMBL14758853 0.79 KCNH2 (0.45) KCNH2
SCHEMBL16972673 0.79 KCNH2 (0.66) KCNH2
Hydrochloric Acid SCHEMBL14746028 0.78 KCNH2 (0.45) KCNH2
SCHEMBL16972700 0.77 KCNH2 (0.64) KCNH2DCTPP1

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