SCHEMBL2858133

SCHEMBL2858133

CCn1cc(OC(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.77
ALDH1A1 P00352 9/20 0.77
HSD17B10 Q99714 7/20 0.77
HPGD P15428 7/20 0.77
LMNA P02545 4/20 0.77
TSHR P16473 2/20 0.77
HTT P42858 2/20 0.77
BRD4 O60885 1/20 0.77
CYP2J2 P51589 1/20 0.77
NPSR1 Q6W5P4 1/20 0.77
DRD3 P35462 1/20 0.60
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
GAA P10253 3/20 0.56
NPC1 O15118 1/20 0.56
RAD52 P43351 1/20 0.55
CYP1A2 P05177 1/20 0.54
TOP2A P11388 1/20 0.54
CYP2C9 P11712 1/20 0.54
TOP2B Q02880 1/20 0.54

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
SCHEMBL10913227 0.91 KDM4E (0.73) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL2849523 0.90 DRD3 (0.76) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL7824016 0.90 DRD3 (0.63) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL10915571 0.90 KDM4E (0.62) KDM4EALDH1A1HSD17B10HPGDLMNA
Asparagine SCHEMBL11012428 0.89 KDM4E (0.63) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL10913654 0.89 KDM4E (0.70) KDM4EALDH1A1HSD17B10HPGDLMNA
Glutamic Acid SCHEMBL11011088 0.89 KDM4E (0.62) KDM4EALDH1A1HSD17B10HPGDLMNA
Gluconic Acid SCHEMBL11013327 0.88 KDM4E (0.61) KDM4EALDH1A1HSD17B10HPGDLMNA
Hydrochloric Acid SCHEMBL10656732 0.88 KDM4E (0.60) KDM4EALDH1A1HSD17B10HPGDLMNA
Glucuronic Acid SCHEMBL11012131 0.87 KDM4E (0.60) KDM4EALDH1A1HSD17B10HPGDLMNA

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3263145-B1 ANTIMICROBIAL COMPOSITIONS AND METHODS FOR LOCKING CATHETERS BECTON DICKINSON CO (US) 2021-01-20 EP claimed
EP-2391632-B1 BACTERIOSTATIC CATHETER LOCK CONTAINING GLYCEROL TELEFLEX MEDICAL INC (US) 2017-11-15 EP claimed
EP-1998825-B1 ANTIMICROBIAL COMPOSITIONS AND METHODS FOR LOCKING CATHETERS BECTON DICKINSON CO (US) 2017-10-18 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-0300735-B1 ANTIMICROBIAL PHARMACEUTICAL COMPOSITION CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1992-10-14 EP claimed
EP-0155006-B1 COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FARMADES S.p.A. (IT) 1990-10-24 EP claimed
EP-0036138-B2 Composition of matter for topical application comprising a bio-affecting agent and N,N-diethyl-m-toluamide MERCK & CO. INC. (US) 1989-10-25 EP claimed
EP-0083032-B1 RECTALLY ADMINISTRABLE SUPPOSITORY COMPRISING A DRUG AND AN ADJUVANT MERCK & CO. INC. (US) 1989-09-20 EP claimed
EP-0210513-A1 Preparations for the treatment of mycoplasmoses and bacterial infections in poultry BAYER AG (DE) 1987-02-04 EP claimed
EP-0049593-B1 1-ETHYL-6-FLUORO-1,4-DIHYDRO-4-OXO-7-(1-PIPERAZINYL)-3-QUINOLINE CARBOXYLIC ACID AND METAL SALTS THEREOF USEFUL IN BURN THERAPY Fox, Charles l., Jr. (US) 1986-08-27 EP claimed
EP-0084011-B1 QUINOLINE CARBOXYLIC ACID COMPLEXES WITH GUANIDINIUM CARBONATE AND GUANIDINE MERCK & CO. INC. (US) 1986-03-26 EP claimed
EP-0067666-B1 SALTS OF ANTIMICROBIAL NAPHTHYRIDINE AND QUINOLINE COMPOUNDS AND THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1985-10-30 EP claimed
EP-1682144-B1 PHARMACEUTICAL FORMULATIONS CONTAINING FLAVOURING SUBSTANCES WITH IMPROVED PHARMACEUTICAL PROPERTIES BAYER ANIMAL HEALTH GMBH (DE) 2010-01-13 EP disclosed
EP-2080515-A1 Pharmaceutical formulations containing flavouring substances with improved pharmaceutical properties Bayer Animal Health GmbH (DE) 2009-07-22 EP disclosed
EP-0113093-A1 1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(alkyl-1-piperazinyl)-3-quinoline-carboxylic acids, process for their preparation and antibacterial agents containing them BAYER AG (DE) 1984-07-11 EP disclosed
EP-0113092-A1 1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(4-(oxoalkyl)-1-piperazinyl)-3-quinoline-carboxylic acids and their derivatives, process for their preparation and antibacterial agents containing them BAYER AG (DE) 1984-07-11 EP disclosed
EP-0049593-A1 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinoline carboxylic acid and metal salts thereof useful in burn therapy Fox, Charles l., Jr. (US) 1982-04-14 EP disclosed