SCHEMBL1844834

SCHEMBL1844834

N#Cc1c(Cl)c(F)cc2c(=O)c(OC(=O)O)cn(C3CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
OPRM1 P35372 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
OPRD1 P41143 1/20 0.43
TOP2A P11388 6/20 0.41
TOP2B Q02880 6/20 0.41
KCNH2 Q12809 6/20 0.37
KDM4E B2RXH2 1/20 0.37
PRKD3 O94806 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
CLK2 P49760 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GSK3B P49841 1/20 0.36
STAT3 P40763 2/20 0.35

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
SCHEMBL6659405 0.89 TOP2A (0.44) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL30468815 0.86 ALDH1A1 (0.57) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL966067 0.86 ALDH1A1 (0.57) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10697924 0.84 ALDH1A1 (0.43) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10925284 0.84 KCNH2 (0.46) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL1972628 0.84 ALDH1A1 (0.49) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL7646010 0.82 ALDH1A1 (0.47) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10927107 0.82 ALDH1A1 (0.48) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10698149 0.82 ALDH1A1 (0.46) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10695164 0.82 KDM4E (0.47) ALDH1A1POLBOPRM1CHRM2CHRM1

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-3784656-B1 PROCESS FOR THE HYDROLYSIS OF QUINOLONE CARBOXYLIC ESTERS ELANCO ANIMAL HEALTH GMBH (DE) 2023-06-28 EP disclosed
EP-2086976-B1 METHOD FOR PRODUCING PRADOFLOXACIN BAYER ANIMAL HEALTH GMBH (DE) 2011-05-18 EP disclosed
EP-1768973-B1 SUBSTITUTED QUINOLONES AICURIS GMBH & CO KG (DE) 2007-12-05 EP disclosed
EP-0944385-B1 USE OF 7-(1-AMINOMETHYL-2-OXA-7-AZA-BICYCLO 3.3.0]OCT-7-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDONE CARBOXYLIC ACID DERIVATIVES FOR TREATING HELICOBACTER PYLORI INFECTIONS AND THE GASTRODUODENAL DISEASES ASSOCIATED THEREWITH BAYER AG (DE) 2002-10-16 EP disclosed
EP-0946176-B1 THE USE OF 7-(2-OXA-5,8-DIAZABICYCLO 4.3.0]NON-8-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDON CARBOXYLIC ACID DERIVATIVES FOR MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF HELICOBACTER PYLORI INFECTIONS AND ASSOCIATED GASTRODUODENAL DISEASES BAYER AG (DE) 2002-03-27 EP disclosed
EP-0907648-B1 QUINOLONE CARBOXYLIC ACIDS SUBSTITUTED BY 7-(3-VINYL-1,4-PIPERAZINE-1-YL) BAYER AG (DE) 2002-03-06 EP disclosed
EP-0704443-B1 Quinolone and naphthyridone carboxylic acid derivatives BAYER AG (DE) 2000-12-27 EP disclosed
EP-1001929-A1 METHOD FOR PREPARING 3-CYANO-2,4-DIHALOGEN-5-FLUOR-BENZOIC ACID Bayer Aktiengesellschaft (DE) 2000-05-24 EP disclosed
EP-0946176-A1 THE USE OF 7-(2-OXA-5,8-DIAZABICYCLO 4.3.0]NON-8-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDON CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF HELICOBACTER PYLORI INFECTIONS AND ASSOCIATED GASTRODUODENAL DISEASES BAYER AG (DE) 1999-10-06 EP disclosed
WO-1999006360-A1 METHOD FOR PREPARING 3-CYANO-2,4-DIHALOGEN-5-FLUOR-BENZOIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1999-02-11 WO disclosed
WO-1998026779-A1 THE USE OF 7-(2-OXA-5,8-DIAZABICYCLO[4.3.0]NON-8-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDON CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF HELICOBACTER PYLORI INFECTIONS AND ASSOCIATED GASTRODUODENAL DISEASES BAYER AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed
EP-0704443-A2 Quinolone and naphthyridone carboxylic acid derivatives BAYER AG (DE) 1996-04-03 EP disclosed
EP-0276700-A1 8-Cyano-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids, process for their preparation, and antibacterial agents containing them BAYER AG (DE) 1988-08-03 EP disclosed