SCHEMBL10686830

SCHEMBL10686830

Nc1c(F)c(N2CCCC2)c(F)c2c1c(=O)c(OC(=O)O)cn2C1CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.54
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.54
CACNA1D Q01668 1/20 0.54
KCNH2 Q12809 1/20 0.54
CACNA1S Q13698 1/20 0.54
CACNA1C Q13936 1/20 0.54
GSK3B P49841 16/20 0.48
TOP2A P11388 1/20 0.44
TOP2B Q02880 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL10680718 0.91 POLB (0.54) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL10681758 0.91 CACNA1F (0.52) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL10682682 0.91 KCNH2 (0.52) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL10679869 0.90 MEN1 (0.53) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL10679828 0.89 KCNH2 (0.50) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL10680080 0.89 CACNA1F (0.50) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL10684659 0.88 KCNH2 (0.53) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9372414 0.88 KCNH2 (0.53) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL10443389 0.88 KCNH2 (0.53) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL10679566 0.88 KCNH2 (0.57) CACNA1FPOLBMAPK1CACNA1DKCNH2

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-0284935-A1 5-Substituted quinolone- and naphthyridone carboxylic acid derivatives BAYER AG (DE) 1988-10-05 EP disclosed