SCHEMBL3817059

SCHEMBL3817059

O=C(O)Oc1c[nH]c2ccccc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 2/20 0.57
CFTR P13569 2/20 0.54
NR4A2 P43354 2/20 0.50
PBRM1 Q86U86 1/20 0.49
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
GPR84 Q9NQS5 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
CREBBP Q92793 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ATM Q13315 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
APAF1 O14727 1/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MPO P05164 1/20 0.44

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
SCHEMBL1831734 0.88 SLC22A6 (0.72) SLC22A6CFTRNR4A2PBRM1GPR84
SCHEMBL20481507 0.81 SLC22A6 (0.55) SLC22A6CFTRPBRM1GABRA1GABRB2
SCHEMBL8126388 0.78 KDM4E (0.67) GPR84ALDH1A1KDM4EMPOTSHR
SCHEMBL29551347 0.77 CFTR (0.67) CFTRNR4A2PBRM1GABRA1GABRB2
SCHEMBL3653476 0.77 ABCG2 (0.54) SLC22A6NR4A2PBRM1SMN1; SMN2CREBBP
SCHEMBL377150 0.77 CFTR (0.67) CFTRNR4A2PBRM1GABRA1GABRB2
Hydrochloric Acid SCHEMBL9046989 0.76 CFTR (0.65) CFTRNR4A2PBRM1GABRA1GABRB2
Hydrochloric Acid SCHEMBL30585295 0.76 CFTR (0.65) CFTRNR4A2PBRM1GABRA1GABRB2
Hydrochloric Acid SCHEMBL29766716 0.76 CFTR (0.65) CFTRNR4A2PBRM1GABRA1GABRB2
SCHEMBL2931679 0.76 PBRM1 (0.77) SLC22A6CFTRNR4A2PBRM1GABRA1

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-0131839-B1 QUINOLINE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 1989-02-01 EP claimed
EP-2086976-A1 METHOD FOR PRODUCING PRADOFLOXACIN Bayer Animal Health GmbH (DE) 2009-08-12 EP disclosed
WO-2008046532-A1 METHOD FOR PRODUCING PRADOFLOXACIN BAYER ANIMAL HEALTH GMBH (DE) 2008-04-24 WO disclosed
EP-0610958-B1 Intermediates in the preparation of 4-oxoquinoline-3-carboxylic acid derivatives UBE INDUSTRIES (JP) 2001-10-04 EP disclosed
EP-0907648-A1 QUINOLONE CARBOXYLIC ACIDS SUBSTITUTED BY 7-(3-VINYL-1,4-PIPERAZINE-1-YL) BAYER AG (DE) 1999-04-14 EP disclosed
WO-1998000421-A1 QUINOLONE CARBOXYLIC ACIDS SUBSTITUTED BY 7-(3-VINYL-1,4-PIPERAZINE-1-YL) BAYER AKTIENGESELLSCHAFT (DE) 1998-01-08 WO disclosed
EP-0610958-A3 Intermediates in the preparation of 4-oxoquinoline-3-carboxylic acid derivatives. UBE INDUSTRIES (JP) 1995-03-22 EP disclosed
EP-0610958-A2 Intermediates in the preparation of 4-oxoquinoline-3-carboxylic acid derivatives UBE INDUSTRIES, LTD. (JP) 1994-08-17 EP disclosed
EP-0306860-A3 4-OXO-3-QUINOLINECARBOXYLIC ACIDS USEFUL AS ANTIBACTERIAL AGENTS AND PREPARATION THEREOF STERLING WINTHROP INC. (US) 1990-07-18 EP disclosed
EP-0235676-B1 7-(1-PYRROLIDINYL)QUINOLONE-CARBOXYLIC-ACID DERIVATIVES BAYER AG (DE) 1990-06-13 EP disclosed
EP-0306860-A2 4-Oxo-3-Quinolinecarboxylic acids useful as antibacterial agents and preparation thereof STERLING WINTHROP INC. (US) 1989-03-15 EP disclosed
EP-0166939-A1 1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7(3-oxo-1-piperazinyl)-3-quinoline-carboxylic acids, process for their preparation and bactericidal agents containing them BAYER AG (DE) 1986-01-08 EP disclosed
EP-0117474-A1 Quinolone carboxylic acids, process for their preparation and antibacterial compositions containing them BAYER AG (DE) 1984-09-05 EP disclosed