SCHEMBL9740912

SCHEMBL9740912

CCNCC1CCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2Br)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.56
CACNA1F O60840 1/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
CACNA1D Q01668 1/20 0.56
CACNA1S Q13698 1/20 0.56
CACNA1C Q13936 1/20 0.56
GSK3B P49841 14/20 0.51
TOP2A P11388 1/20 0.47
TOP2B Q02880 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL8385037 0.93 KCNH2 (0.64) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9688677 0.92 KCNH2 (0.56) KCNH2CACNA1FPOLBMAPK1CACNA1D
Hydrochloric Acid SCHEMBL10368756 0.92 KCNH2 (0.63) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9689088 0.91 KCNH2 (0.56) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9689371 0.90 KCNH2 (0.56) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9688336 0.89 KCNH2 (0.54) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9688237 0.89 KCNH2 (0.59) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9689525 0.87 KCNH2 (0.56) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL10679942 0.85 KCNH2 (0.65) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL8656923 0.85 MEN1 (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0265230-A1 Substituted-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids, derivatives thereof, pharmaceutical compositions comprising the compounds, and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1988-04-27 EP claimed
US-5097032-A Quinoline- and naphthyridine carboxylic acids, salts WARNER-LAMBERT COMPANY (US) 1992-03-17 US disclosed
US-4822801-A 4-oxo-1,4-dihydroquinoline-3-carboxylic acid derivative as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-04-18 US disclosed
EP-0265230-A1 Substituted-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids, derivatives thereof, pharmaceutical compositions comprising the compounds, and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1988-04-27 EP disclosed