SCHEMBL5744533

SCHEMBL5744533

C=Cc1ccc2cccnc2n1.COc1ccc2ncc(F)c(C3CO3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.35
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3274604 0.81 KCNH2 (0.46) KCNH2
SCHEMBL3274607 0.81 KCNH2 (0.46) KCNH2
SCHEMBL5298777 0.81 KCNH2 (0.46) KCNH2
SCHEMBL14993243 0.72 KCNH2 (0.39) KCNH2
SCHEMBL14993065 0.69 MTNR1A (0.37) KCNH2
SCHEMBL5439110 0.68 KCNH2 (0.43) KCNH2
SCHEMBL5746176 0.68 KCNH2 (0.43) KCNH2
SCHEMBL29692705 0.68 KCNH2 (0.42) KCNH2
SCHEMBL3182434 0.67 ALDH1A1 (0.67) ALDH1A1
SCHEMBL592871 0.67 KCNH2 (0.38) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 WO disclosed