SCHEMBL5260657

SCHEMBL5260657

COc1ccc2nccc(NC(=O)O)c2n1.c1cc2snnc2cc1CNC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.54

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
SCHEMBL14341325 0.88 KCNH2 (0.61) KCNH2
SCHEMBL5263226 0.88 KCNH2 (0.54) KCNH2
SCHEMBL14341396 0.85 KCNH2 (0.49) KCNH2
SCHEMBL5260199 0.83 KCNH2 (0.76) KCNH2
SCHEMBL5264336 0.80 KCNH2 (0.52) KCNH2
SCHEMBL5260215 0.80 KCNH2 (0.76) KCNH2
SCHEMBL5265007 0.80 KCNH2 (0.63) KCNH2
SCHEMBL5262423 0.79 KCNH2 (0.59) KCNH2
SCHEMBL14498819 0.79 KCNH2 (0.62) KCNH2
SCHEMBL5263873 0.78 KCNH2 (0.52) 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