SCHEMBL8038539

SCHEMBL8038539

CCOC(=O)c1cn(C2CC2)c2cc(N3CCN(CC)CC3)c(F)cc2c1=O

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.79
ALDH1A1 P00352 5/20 0.79
HPGD P15428 4/20 0.79
HSD17B10 Q99714 4/20 0.79
LMNA P02545 2/20 0.79
MAPT P10636 1/20 0.79
CYP1A2 P05177 1/20 0.57
TOP2A P11388 1/20 0.57
CYP2C9 P11712 1/20 0.57
TOP2B Q02880 1/20 0.57
PIK3CG P48736 3/20 0.52
PIK3CD O00329 2/20 0.52
PIK3R1 P27986 2/20 0.52
PIK3CA P42336 2/20 0.52
HRH3 Q9Y5N1 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 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
SCHEMBL29475791 1.00 KDM4E (0.79) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL27672529 0.93 KDM4E (0.76) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL29576777 0.91 ALDH1A1 (0.66) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9638922 0.91 ALDH1A1 (0.66) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL6708754 0.91 KDM4E (0.80) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL13923335 0.91 KDM4E (0.80) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL17350592 0.90 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL17350863 0.89 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL17350862 0.89 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL17350525 0.89 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108675959-B Deuterated enrofloxacin-d5Preparation method of (1) 雅安职业技术学院 2022-02-25 CN claimed
CN-108675959-B Deuterated enrofloxacin-d5Preparation method of (1) 雅安职业技术学院 2022-02-25 CN disclosed
CN-1214009-C N-oxides as antibacterial agents BAYER AG (DE) 2005-08-10 CN disclosed
US-6114351-A N-oxides as antibacterial agents BAYER AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
CN-1190958-A Novel antimicrobial compositions BAYER AG (DE) 1998-08-19 CN disclosed
US-5281596-A Treatment with 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(4-ethylpiperazino)quinoline-3 -carboxylic acid or salt BAYER AKTIENGESELLSCHAFT (DE) 1994-01-25 US disclosed
EP-0238814-B1 ANTIBACTERIAL MEDICAMENTS FOR FISH BAYER AG (DE) 1992-06-24 EP disclosed
US-5095112-A PROCESS FOR THE PREPARATION OF QUINOLONECARBOXYLIC ACID ESTERS BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
EP-0238814-A2 Antibacterial medicaments for fish BAYER AG (DE) 1987-09-30 EP disclosed
CN-87100799-A ANTIBACTERIAL DRUGS FOR FISH 1987-09-16 CN disclosed