SCHEMBL5260199

SCHEMBL5260199

COc1ccc2nccc(NC(=O)O)c2n1.c1cc2c(cc1CNC1CCCCC1)OCCO2

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.76
SLC2A1 P11166 1/20 0.46

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
SCHEMBL5260215 0.91 KCNH2 (0.76) KCNH2SLC2A1
SCHEMBL5265007 0.90 KCNH2 (0.63) KCNH2SLC2A1
SCHEMBL5315858 0.89 KCNH2 (0.62) KCNH2
SCHEMBL5261624 0.88 KCNH2 (0.79) KCNH2
SCHEMBL14498785 0.88 KCNH2 (0.79) KCNH2
SCHEMBL5264690 0.87 KCNH2 (0.61) KCNH2SLC2A1
SCHEMBL5262423 0.86 KCNH2 (0.59) KCNH2
SCHEMBL5263226 0.83 KCNH2 (0.54) KCNH2
SCHEMBL5260170 0.83 KCNH2 (0.55) KCNH2SLC2A1
SCHEMBL4511787 0.83 KCNH2 (0.70) 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