SCHEMBL5260764

SCHEMBL5260764

COc1ccc2nccc(NC(=O)O)c2n1.O=c1[nH]c(CNC2CCCCC2)cc2cccc(O)c12

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 5/20 0.51
KCNH2 Q12809 8/20 0.47
CCR8 P51685 1/20 0.36

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
SCHEMBL14498803 0.89 KCNH2 (0.60) SLC2A1KCNH2CCR8
SCHEMBL5258829 0.87 KCNH2 (0.48) SLC2A1KCNH2
SCHEMBL5259762 0.82 KCNH2 (0.50) KCNH2
SCHEMBL5261624 0.76 KCNH2 (0.79) KCNH2
SCHEMBL14341200 0.76 KCNH2 (0.62) SLC2A1KCNH2
SCHEMBL5262816 0.75 KCNH2 (0.51) KCNH2
SCHEMBL5260199 0.75 KCNH2 (0.76) SLC2A1KCNH2
SCHEMBL5263226 0.74 KCNH2 (0.54) KCNH2
SCHEMBL5260170 0.74 KCNH2 (0.55) SLC2A1KCNH2
SCHEMBL5262423 0.74 KCNH2 (0.59) 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
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP claimed