SCHEMBL13400565

SCHEMBL13400565

COc1ccc2ncc(Cl)c(CCN3CCC(NCc4cc5c(cn4)OCS5)C3)c2n1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.73
SLC2A1 P11166 3/20 0.65

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
SCHEMBL3272839 0.89 KCNH2 (0.60) KCNH2SLC2A1
SCHEMBL6079603 0.88 KCNH2 (0.78) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL6079413 0.87 SLC2A1 (0.80) KCNH2SLC2A1
SCHEMBL5745865 0.84 KCNH2 (1.00) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL5746324 0.84 KCNH2 (0.98) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL5798256 0.82 KCNH2 (0.79) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL6080312 0.82 KCNH2 (0.79) KCNH2SLC2A1
SCHEMBL3277892 0.81 SLC2A1 (0.66) KCNH2SLC2A1
SCHEMBL6079896 0.81 KCNH2 (0.81) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL6079482 0.80 KCNH2 (0.80) KCNH2SLC2A1

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
US-7691850-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed