SCHEMBL1853353

SCHEMBL1853353

COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(OC(=O)O)cn(C3CC3)c12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.81
ALDH1A1 P00352 7/20 0.81
HPGD P15428 6/20 0.81
HSD17B10 Q99714 4/20 0.81
KCNH2 Q12809 3/20 0.81
TDP1 Q9NUW8 3/20 0.81
POLB P06746 3/20 0.81
OPRM1 P35372 2/20 0.81
PRKD3 O94806 1/20 0.81
ALOX15 P16050 1/20 0.81
CLK2 P49760 1/20 0.81
CLK4 Q9HAZ1 1/20 0.81
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 2/20 0.55
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PMP22 Q01453 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
ATM Q13315 1/20 0.49

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
SCHEMBL9634923 0.91 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL1859195 0.91 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL9202394 0.91 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL5179063 0.90 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10KCNH2
Gatifloxacin SCHEMBL22591 0.90 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10KCNH2
Gatifloxacin SCHEMBL2224369 0.90 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10KCNH2
(R)-Gatifloxacin SCHEMBL5670068 0.90 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10KCNH2
(S)-Gatifloxacin SCHEMBL30910969 0.90 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10KCNH2
Gatifloxacin SCHEMBL29356306 0.90 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10KCNH2
(S)-Gatifloxacin SCHEMBL22592 0.90 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10KCNH2

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 13 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-1253149-B1 SULFATE SALT OF QUINOLONECARBOXYLIC ACID DERIVATIVE AND USE THEREOF KYORIN SEIYAKU KK (JP) 2007-09-12 EP claimed
EP-1408034-B1 Use of Quinolone and Quinolizinone derivatives as chemotherapeutic agents SCHULZ & SCHLIMBACH GBR (DE) 2007-08-08 EP claimed
EP-1492535-B1 ANHYDROUS CRYSTALLINE FORMS I AND II OF 1-CYCLOPROPYL-6-FLUORO-8-METHOXY-7-(3-METHYL-1-PIPERAZINYL) 4-OXO-1, 4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID (GATIFLOXACIN) REDDYS LAB LTD DR (IN) 2005-10-26 EP claimed
EP-1408034-A1 Use of Quinoline derivatives as antibacterial agents Schulz & Schlimbach GbR (DE) 2004-04-14 EP claimed
EP-1244434-B1 USE OF CHEMOTHERAPEUTIC AGENTS SCHULZ & SCHLIMBACH GBR (DE) 2004-03-17 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-1034173-B1 METHOD FOR PRODUCING 8-METHOXY-QUINOLINE CARBOXYLIC ACIDS BAYER HEALTHCARE AG (DE) 2005-04-27 EP disclosed
EP-1408034-A1 Use of Quinoline derivatives as antibacterial agents Schulz & Schlimbach GbR (DE) 2004-04-14 EP disclosed
EP-1077703-B1 ORAL MEDICINAL PREPARATIONS WITH REPRODUCIBLE RELEASE OF THE ACTIVE INGREDIENT GATIFLOXACIN OR ITS PHARMACEUTICALLY SUITABLE SALTS OR HYDRATES GRUENENTHAL GMBH (DE) 2003-03-26 EP disclosed