SCHEMBL9023715

SCHEMBL9023715

CNC1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)CC12CC2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 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 0.49
TOP2B Q02880 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL9023231 0.90 KCNH2 (0.53) KCNH2CACNA1FPOLBMAPK1CACNA1D
Olamufloxacin SCHEMBL1851976 0.89 KCNH2 (0.59) KCNH2CACNA1FPOLBMAPK1CACNA1D
Olamufloxacin SCHEMBL31162720 0.89 KCNH2 (0.59) KCNH2CACNA1FPOLBMAPK1CACNA1D
Olamufloxacin SCHEMBL7043166 0.89 KCNH2 (0.59) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9023781 0.88 KCNH2 (0.56) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL6882417 0.88 KCNH2 (0.51) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL7043664 0.88 KCNH2 (0.51) KCNH2CACNA1FPOLBMAPK1CACNA1D
Olamufloxacin SCHEMBL29711354 0.87 KCNH2 (0.55) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9023406 0.83 KCNH2 (0.61) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9572082 0.83 CACNA1F (0.61) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1048242-C 5-amino-8-methyl-7-pyrrolidinylquinoline-3-carboxylic acid derivative NORTHERN CONTINENTAL CO LTD (JP) 2000-01-12 CN disclosed
EP-0641793-B1 5-Amino-8-methyl-7-pyrrolidinylquinoline-3-carboxylic acid derivative HOKURIKU PHARMACEUTICAL (JP) 1996-10-23 EP disclosed
US-5547962-A QUINOLONE ANTIBIOTICS HORURIKU SEIYAKU CO., LTD. (JP) 1996-08-20 US disclosed
CN-1117491-A 5-amino-8-methyl-7-pyrrolidinylquinoline-3-carboxylic acid derivative NORTHERN CONTINENTAL CO LTD (JP) 1996-02-28 CN disclosed
EP-0641793-A1 5-Amino-8-methyl-7-pyrrolidinylquinoline-3-carboxylic acid derivative HOKURIKU SEIYAKU CO., LTD. (JP) 1995-03-08 EP disclosed