SCHEMBL9375575

SCHEMBL9375575

COc1c(N2CCNCC2)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.61
POLB P06746 2/20 0.61
CACNA1F O60840 1/20 0.61
MAPK1 P28482 1/20 0.61
CACNA1D Q01668 1/20 0.61
CACNA1S Q13698 1/20 0.61
CACNA1C Q13936 1/20 0.61
GSK3B P49841 8/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 3/20 0.55
PRKD3 O94806 1/20 0.55
ALOX15 P16050 1/20 0.55
OPRM1 P35372 1/20 0.55
CLK2 P49760 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
TOP2A P11388 2/20 0.51
TOP2B Q02880 2/20 0.51

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
SCHEMBL6305453 0.90 KCNH2 (0.73) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL28454245 0.90 KCNH2 (0.59) KCNH2POLBCACNA1FMAPK1CACNA1D
Hydrochloric Acid SCHEMBL10543998 0.89 KCNH2 (0.72) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL13925384 0.89 KCNH2 (0.70) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL12156452 0.89 KCNH2 (0.70) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL7816829 0.89 KCNH2 (0.57) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL4366110 0.88 KCNH2 (0.58) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8437298 0.88 KCNH2 (0.64) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL10547807 0.87 KCNH2 (0.68) KCNH2POLBCACNA1FMAPK1CACNA1D
Hydrochloric Acid SCHEMBL9022804 0.87 KCNH2 (0.63) KCNH2POLBCACNA1FMAPK1CACNA1D

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-0230295-B1 8-alkoxyquinolonecarboxylic acid and salts thereof excellent in the selective toxicity and process of preparing the same KYORIN SEIYAKU KK (JP) 1994-05-25 EP disclosed
US-5043450-A Bactericides KYORIN PHARMACEUTICAL CO., LTD. (JP) 1991-08-27 US disclosed
US-4980470-A 8-alkoxyquinolonecarboxylic acid and salts thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-12-25 US disclosed
EP-0230295-A2 8-alkoxyquinolonecarboxylic acid and salts thereof excellent in the selective toxicity and process of preparing the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-07-29 EP disclosed