SCHEMBL5728149

SCHEMBL5728149

COc1ccc2nccc(C(O)CN3CCC(NC/C=C/c4ccccn4)CC3)c2n1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.59
SLC2A1 P11166 6/20 0.57

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
SCHEMBL5726402 1.00 KCNH2 (0.59) KCNH2SLC2A1
SCHEMBL5726404 1.00 KCNH2 (0.59) KCNH2SLC2A1
SCHEMBL5726118 0.86 KCNH2 (0.59) KCNH2SLC2A1
SCHEMBL5728689 0.84 KCNH2 (0.60) KCNH2SLC2A1
SCHEMBL5317990 0.84 SLC2A1 (0.45) KCNH2SLC2A1
SCHEMBL5317988 0.84 SLC2A1 (0.45) KCNH2SLC2A1
SCHEMBL5726164 0.84 KCNH2 (0.60) KCNH2SLC2A1
SCHEMBL6918509 0.84 KCNH2 (0.60) KCNH2SLC2A1
SCHEMBL5725872 0.83 SLC2A1 (0.59) KCNH2SLC2A1
SCHEMBL14610801 0.82 KCNH2 (0.65) KCNH2SLC2A1

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-1320529-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-05-24 EP claimed