SCHEMBL4226517

SCHEMBL4226517

COc1ccc2ncc(F)c(OC(=O)CC(=O)O)c2n1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.39
KCNH2 Q12809 8/20 0.37

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
SCHEMBL2768637 0.87 KCNH2 (0.36) KCNH2
SCHEMBL3400416 0.83 MTNR1A (0.41)
SCHEMBL3544999 0.80 KCNH2 (0.36) SLC2A1KCNH2
SCHEMBL4224000 0.78 KCNH2 (0.44) KCNH2
SCHEMBL4307794 0.75 KCNH2 (0.42) SLC2A1KCNH2
SCHEMBL4226513 0.73 KCNH2 (0.42) KCNH2
SCHEMBL2490082 0.72 ERN1 (0.44) KCNH2
SCHEMBL29692876 0.72 ERN1 (0.44) KCNH2
SCHEMBL3550756 0.72 KCNH2 (0.44) KCNH2
SCHEMBL3544996 0.72 KCNH2 (0.42) SLC2A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010532-A1 TRYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS Glaxo Group Limited (GB) 2009-01-07 EP disclosed
WO-2007122258-A1 TRYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2007-11-01 WO disclosed