SCHEMBL9023310

SCHEMBL9023310

Cc1c(N2CC(C)C(NC(=O)C(F)(F)F)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.59
CACNA1F O60840 1/20 0.59
POLB P06746 1/20 0.59
MAPK1 P28482 1/20 0.59
CACNA1D Q01668 1/20 0.59
CACNA1S Q13698 1/20 0.59
CACNA1C Q13936 1/20 0.59
GSK3B P49841 15/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TOP2A P11388 1/20 0.48
TOP2B Q02880 1/20 0.48
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL9023306 1.00 KCNH2 (0.59) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9023318 1.00 KCNH2 (0.59) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL8436499 0.89 KCNH2 (0.58) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9023598 0.86 KCNH2 (0.56) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9023210 0.84 KCNH2 (0.67) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL8437288 0.84 KCNH2 (0.67) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9022918 0.84 KCNH2 (0.67) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9023057 0.84 KCNH2 (0.53) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9394230 0.84 MEN1 (0.48) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL10577825 0.84 CACNA1F (0.62) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0641793-A1 5-Amino-8-methyl-7-pyrrolidinylquinoline-3-carboxylic acid derivative HOKURIKU SEIYAKU CO., LTD. (JP) 1995-03-08 EP disclosed