SCHEMBL6509658

SCHEMBL6509658

COc1c(N2CCC(CN)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 1.00
KDM4E B2RXH2 7/20 0.71
ALDH1A1 P00352 5/20 0.71
HPGD P15428 4/20 0.71
POLB P06746 3/20 0.71
HSD17B10 Q99714 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
OPRM1 P35372 2/20 0.71
PRKD3 O94806 1/20 0.71
ALOX15 P16050 1/20 0.71
CLK2 P49760 1/20 0.71
CLK4 Q9HAZ1 1/20 0.71
TOP1 P11387 6/20 0.69
LMNA P02545 2/20 0.64
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
NPSR1 Q6W5P4 1/20 0.60
CYP2C19 P33261 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CHRM2 P08172 1/20 0.59

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
SCHEMBL16105050 1.00 KCNH2 (1.00) KCNH2KDM4EALDH1A1HPGDPOLB
Water SCHEMBL9773807 0.99 KCNH2 (0.98) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL9790137 0.95 KCNH2 (0.90) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL6494001 0.92 KCNH2 (0.85) KCNH2KDM4EALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL9773697 0.92 KCNH2 (0.85) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL8112090 0.90 KCNH2 (0.82) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL9373032 0.90 KCNH2 (0.81) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL9773756 0.90 KCNH2 (0.81) KCNH2KDM4EALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL8564922 0.89 KCNH2 (0.80) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL6499632 0.89 KCNH2 (0.80) KCNH2KDM4EALDH1A1HPGDPOLB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5043450-A Bactericides KYORIN PHARMACEUTICAL CO., LTD. (JP) 1991-08-27 US claimed
EP-0241206-A2 Quinoline-3-carboxylic acid derivatives, their preparation and use Sankyo Company Limited (JP) 1987-10-14 EP claimed
WO-2005049602-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed
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-4997943-A Bactericides SANKYO COMPANY LIMITED (JP) 1991-03-05 US disclosed
US-4980470-A 8-alkoxyquinolonecarboxylic acid and salts thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-12-25 US disclosed
EP-0241206-A2 Quinoline-3-carboxylic acid derivatives, their preparation and use Sankyo Company Limited (JP) 1987-10-14 EP 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