SCHEMBL1859192

SCHEMBL1859192

CC1CNCCN1c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1OC(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.57
ALDH1A1 P00352 6/20 0.57
KCNH2 Q12809 5/20 0.57
HPGD P15428 5/20 0.57
HSD17B10 Q99714 3/20 0.57
POLB P06746 3/20 0.57
OPRM1 P35372 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
PRKD3 O94806 1/20 0.57
ALOX15 P16050 1/20 0.57
CLK2 P49760 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
LMNA P02545 4/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 1/20 0.48
TOP2A P11388 1/20 0.48
CYP2C9 P11712 1/20 0.48
TOP2B Q02880 1/20 0.48

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
Hydrochloric Acid SCHEMBL1857760 0.99 KDM4E (0.57) KDM4EALDH1A1KCNH2HPGDHSD17B10
SCHEMBL3963299 0.91 KDM4E (0.70) KDM4EALDH1A1KCNH2HPGDHSD17B10
SCHEMBL7810777 0.87 KDM4E (0.64) KDM4EALDH1A1KCNH2HPGDHSD17B10
SCHEMBL13841373 0.83 KDM4E (0.60) KDM4EALDH1A1KCNH2HPGDHSD17B10
Cadrofloxacin SCHEMBL7804218 0.83 KDM4E (0.82) KDM4EALDH1A1KCNH2HPGDHSD17B10
Cadrofloxacin SCHEMBL12590142 0.83 KDM4E (0.82) KDM4EALDH1A1KCNH2HPGDHSD17B10
Cadrofloxacin SCHEMBL19235637 0.83 KDM4E (0.82) KDM4EALDH1A1KCNH2HPGDHSD17B10
Cadrofloxacin SCHEMBL29383039 0.83 KDM4E (0.82) KDM4EALDH1A1KCNH2HPGDHSD17B10
Cadrofloxacin SCHEMBL1857761 0.82 KDM4E (0.81) KDM4EALDH1A1KCNH2HPGDHSD17B10
Cadrofloxacin SCHEMBL7809917 0.82 KDM4E (0.81) KDM4EALDH1A1KCNH2HPGDHSD17B10

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
EP-1408034-B2 Use of Quinolone and Quinolizinone derivatives as chemotherapeutic agents BAYER INNOVATION GMBH (DE) 2011-05-25 EP claimed
EP-1408034-B1 Use of Quinolone and Quinolizinone derivatives as chemotherapeutic agents SCHULZ & SCHLIMBACH GBR (DE) 2007-08-08 EP claimed
EP-1408034-A1 Use of Quinoline derivatives as antibacterial agents Schulz & Schlimbach GbR (DE) 2004-04-14 EP claimed
EP-1244434-A2 USE OF CHEMOTHERAPEUTIC AGENTS Schulz, Hans-Herrmann (DE) 2002-10-02 EP claimed
WO-2001045679-A2 USE OF CHEMOTHERAPEUTIC AGENTS FOR TOPICAL TREATMENT SCHULZ HANS HERRMANN (DE) 2001-06-28 WO claimed
EP-1408034-B2 Use of Quinolone and Quinolizinone derivatives as chemotherapeutic agents BAYER INNOVATION GMBH (DE) 2011-05-25 EP disclosed
EP-1408034-B1 Use of Quinolone and Quinolizinone derivatives as chemotherapeutic agents SCHULZ & SCHLIMBACH GBR (DE) 2007-08-08 EP disclosed
EP-1408034-A1 Use of Quinoline derivatives as antibacterial agents Schulz & Schlimbach GbR (DE) 2004-04-14 EP disclosed
EP-1244434-A2 USE OF CHEMOTHERAPEUTIC AGENTS Schulz, Hans-Herrmann (DE) 2002-10-02 EP disclosed
WO-2001045679-A2 USE OF CHEMOTHERAPEUTIC AGENTS FOR TOPICAL TREATMENT SCHULZ HANS HERRMANN (DE) 2001-06-28 WO disclosed