SCHEMBL10550436

SCHEMBL10550436

CCn1cc(C(=O)O)c(=O)c2c(N)c(F)c(N3CCC(C(N)C(C)C)C3)c(F)c21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.49
CACNA1F O60840 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
CACNA1D Q01668 1/20 0.49
CACNA1S Q13698 1/20 0.49
CACNA1C Q13936 1/20 0.49
FOXO1 Q12778 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
SLC2A1 P11166 1/20 0.45
PMP22 Q01453 1/20 0.45
GSK3B P49841 7/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38

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
SCHEMBL9688752 0.90 KCNH2 (0.49) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL10367438 0.87 FOXO1 (0.48) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL10683743 0.86 POLB (0.52) KCNH2CACNA1FPOLBMAPK1CACNA1D
Hydrochloric Acid SCHEMBL9688844 0.85 POLB (0.52) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9689732 0.84 KCNH2 (0.51) KCNH2CACNA1FPOLBMAPK1CACNA1D
Propane SCHEMBL10550447 0.83 KCNH2 (0.50) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9688393 0.83 FOXO1 (0.48) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL10369147 0.82 KCNH2 (0.49) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9688756 0.80 FOXO1 (0.49) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9688244 0.80 KCNH2 (0.47) KCNH2CACNA1FPOLBMAPK1CACNA1D

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
US-4822801-A 4-oxo-1,4-dihydroquinoline-3-carboxylic acid derivative as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-04-18 US claimed