SCHEMBL6220162

SCHEMBL6220162

O=C(O)c1cn(-c2ccc(F)cc2F)c2c(F)c(F)c(F)cc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
KDM4E B2RXH2 3/20 0.64
POLB P06746 2/20 0.64
HSP90AA1 P07900 1/20 0.64
RXFP1 Q9HBX9 1/20 0.64
TOP1 P11387 5/20 0.55
EPHA2 P29317 1/20 0.53
FLT4 P35916 1/20 0.53
GSK3B P49841 1/20 0.53
RARB P10826 1/20 0.53
TBXAS1 P24557 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 2/20 0.51
LMNA P02545 3/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HTT P42858 2/20 0.48
XBP1 P17861 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 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
SCHEMBL31435135 1.00 ALDH1A1 (0.64) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL6210375 0.89 TOP1 (0.53) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL8801893 0.89 TOP1 (0.53) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL13581395 0.89 TOP1 (0.53) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL10635691 0.89 ALDH1A1 (0.63) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL9145752 0.88 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL9047182 0.87 ALDH1A1 (0.64) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL10512040 0.87 EPHA2 (0.52) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL10413401 0.86 TOP1 (0.50) ALDH1A1KDM4EPOLBHSP90AA1RXFP1
SCHEMBL9187259 0.86 TOP1 (0.50) ALDH1A1KDM4EPOLBHSP90AA1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757990-B1 7-(1-Pyrrolidoinyl)-3-quinolone and naphthyridone carboxylic acid derivatives, method for their preparation and for substituted mono- and bicyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER HEALTHCARE AG (DE) 2005-03-30 EP disclosed
EP-0787720-B1 PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KK (JP) 2003-07-16 EP disclosed
EP-0614664-B2 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 EP disclosed
EP-0677050-B1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVES CHEIL JEDANG CORP (KR) 2001-08-16 EP disclosed
EP-0704443-B1 Quinolone and naphthyridone carboxylic acid derivatives BAYER AG (DE) 2000-12-27 EP disclosed
EP-0401623-B1 Process for the preparation of 7-(3-amino- and 3-aminomethyl-1-pyrrolidinyl)-3-quinolinonecarboxylic and -naphthyridinonecarboxylic acids BAYER AG (DE) 2000-01-26 EP disclosed
US-6018054-A INTERMEDIATE COMPOUNDS FOR PREPARING NOVEL QUINOLONE AND NAPHTHYRIDONE DERIVATIVES WHICH ARE SUBSTITUTED IN THE 7-POSITION BY A PARTIALLY HYDROGENATED ISOINDOLINYL RING, USE AS ANTIBACTERIAL AGENTS AND AS FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-01-25 US disclosed
EP-0705828-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1999-12-01 EP disclosed
US-5990122-A SUBSTITUTED IN THE 7-POSITION BY A TRICYCLIC AMINE RADICAL; REDUCED GENOTOXIC PROPERTIES AND INCREASED ANTIBACTERIAL ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 1999-11-23 US disclosed
US-5910498-A NOVEL COMPOUNDS HAVING REDUCED CYTOTOXICITY, PHOTOTOXICITY; TREATING BACTERIAL AND VIRAL INFECTIONS WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1999-06-08 US disclosed
US-4988709-A Bactericides, azabicycloalkane derivatives of 1,4-dihydro-4-oxo-3-quinolinecarboxylic acids SHIONOGI & CO., LTD. (JP) 1991-01-29 US disclosed
EP-0401623-A1 Process for the preparation of 7-(3-amino- and 3-aminomethyl-1-pyrrolidinyl)-3-quinolinonecarboxylic and -naphthyridinonecarboxylic acids BAYER AG (DE) 1990-12-12 EP disclosed
EP-0391169-A2 Enantiomeric pure 7-(3-amino-1-pyrrolidinyl)-chinolon-and-naphthyridon carboxylic acids BAYER AG (DE) 1990-10-10 EP disclosed
US-4927926-A BACTERICIDES LABORATORIOS DEL DR. ESTEVE S.A. (ES) 1990-05-22 US disclosed
EP-0350733-A2 7-(1-Pyrrolidinyl)-3-quinolone- and -naphthyridone-carboxylic-acid derivatives, method for their preparation and for substituted mono- and bi-cyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER AG (DE) 1990-01-17 EP disclosed
US-4889857-A BACTERICIDES; SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-12-26 US disclosed
EP-0343560-A2 Isoindoline derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed
EP-0326916-A2 Quinolone- and naphthyridone-carboxylic acid derivatives, method for their preparation and antibacterial agents and food additives containing them BAYER AG (DE) 1989-08-09 EP disclosed
EP-0311948-A2 Quinolonecarboxylic acid compounds and pharmaceutical use thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-04-19 EP disclosed
EP-0230274-A2 Derivatives of 7-(azabicycloalkyl)-quinoloncarboxylic acid and -naphthyridoncarboxylic acid BAYER AG (DE) 1987-07-29 EP disclosed