SCHEMBL5263873

SCHEMBL5263873

COc1ccc2nccc(NC(=O)O)c2n1.O=C1CSc2ncc(CNC3CCCCC3)cc2N1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.52

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
SCHEMBL5264336 0.89 KCNH2 (0.52) KCNH2
SCHEMBL6668585 0.89 KCNH2 (0.58) KCNH2
SCHEMBL14341402 0.88 KCNH2 (0.68) KCNH2
SCHEMBL14498826 0.86 KCNH2 (0.48) KCNH2
SCHEMBL6667268 0.86 KCNH2 (0.48) KCNH2
SCHEMBL5261919 0.84 KCNH2 (0.45) KCNH2
SCHEMBL5262423 0.82 KCNH2 (0.59) KCNH2
SCHEMBL5263477 0.80 KCNH2 (0.41) KCNH2
SCHEMBL5253266 0.80 KCNH2 (0.59) KCNH2
SCHEMBL5253262 0.80 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