SCHEMBL5262816

SCHEMBL5262816

COc1ccc2nccc(NC(=O)O)c2n1.O=c1cc(CNC2CCCCC2)nc2ccccn12

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.51
METTL3 Q86U44 6/20 0.46
MAPT P10636 2/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
METTL14 Q9HCE5 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL5634687 0.90 KCNH2 (0.63) KCNH2METTL3MAPTTP53LMNA
SCHEMBL5259762 0.78 KCNH2 (0.50) KCNH2
SCHEMBL5261624 0.77 KCNH2 (0.79) KCNH2
SCHEMBL5258829 0.76 KCNH2 (0.48) KCNH2
SCHEMBL5264690 0.76 KCNH2 (0.61) KCNH2
SCHEMBL5260764 0.75 SLC2A1 (0.51) KCNH2
SCHEMBL5260522 0.75 KCNH2 (0.58) KCNH2
SCHEMBL5260199 0.75 KCNH2 (0.76) KCNH2
SCHEMBL5260170 0.74 KCNH2 (0.55) KCNH2
SCHEMBL5263226 0.74 KCNH2 (0.54) 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