SCHEMBL6217009

SCHEMBL6217009

O=C(O)c1cn(C2CC2)c2c(Cl)c(F)c(Cl)cc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
POLB P06746 2/20 0.60
OPRM1 P35372 2/20 0.60
CHRM2 P08172 1/20 0.60
CHRM1 P11229 1/20 0.60
OPRD1 P41143 1/20 0.60
TOP2A P11388 9/20 0.57
TOP2B Q02880 9/20 0.57
KDM4E B2RXH2 4/20 0.47
CYP1A2 P05177 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KCNH2 Q12809 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 1/20 0.46
CYP2C9 P11712 1/20 0.46
PRKD3 O94806 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL6217925 0.91 TOP2A (0.61) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL29962586 0.90 ALDH1A1 (0.66) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL500386 0.90 ALDH1A1 (0.66) ALDH1A1POLBOPRM1CHRM2CHRM1
Fluoride SCHEMBL5143354 0.88 ALDH1A1 (0.63) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL4558483 0.88 ALDH1A1 (0.58) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL6171288 0.88 TOP2A (0.58) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL5143359 0.87 ALDH1A1 (0.62) ALDH1A1POLBOPRM1CHRM2CHRM1
Fluoride SCHEMBL6169863 0.86 TOP2A (0.56) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10631361 0.85 TOP2A (0.61) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10873737 0.85 POLB (0.57) 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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0167763-B1 7-AMINO-1-CYCLOPROPYL-6,8-DIHALO-1,4-DIHYDRO-4-OXO-3-QUINOLINE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND BACTERICIDAL AGENTS CONTAINING THEM BAYER AG (DE) 1988-08-03 EP claimed
EP-0167763-A1 7-Amino-1-cyclopropyl-6,8-dihalo-1,4-dihydro-4-oxo-3-quinoline-carboxylic acids, process for their preparation and bactericidal agents containing them BAYER AG (DE) 1986-01-15 EP claimed
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-0614664-B2 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 EP disclosed
US-5969141-A Intermediates for 7-amino-1-cyclopropyl-6,8-dihalogeno-1,4-dihydro-4-oxo-3-quinolinecarbox ylic acid antibacterial agents BAYER AKTIENGESELLSCHAFT (DE) 1999-10-19 US disclosed
US-5889009-A ADMINISTERING 1,7-DISUBSTITUTED-4-OX-3-(QUINOLINECARBOXYLIC ACID OR NAPHTHYRIDINECARBOXYLIC ACID) TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-30 US disclosed
EP-0614664-B1 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-09-16 EP disclosed
US-5777181-A 2, 4, 5-trihalogeno- and 2, 3, 4, 5-tetrahalogenobenzene derivatives BAYER AKTIENGESELLSCHAFT (DE) 1998-07-07 US disclosed
US-5703081-A CELL ADHESION INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-30 US disclosed
EP-0350733-B1 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) 1997-08-20 EP disclosed
US-5607942-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed
EP-0164619-B1 2,4,5-TRIHALO OR 2,3,4,5-TETRAHALO BENZENE DERIVATIVES AND PROCESS FOR PRODUCING THEM BAYER AG (DE) 1988-10-12 EP disclosed
EP-0167763-B1 7-AMINO-1-CYCLOPROPYL-6,8-DIHALO-1,4-DIHYDRO-4-OXO-3-QUINOLINE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND BACTERICIDAL AGENTS CONTAINING THEM BAYER AG (DE) 1988-08-03 EP disclosed
US-4703047-A 1-Cyclopropyl-1,4-dihydro-4-oxo-7-(4-(2-oxo-1,3-dioxol-4-yl-methyl)-1-piperazinyl)-3-quinolinecarboxylic acid antibacterial agents BAYER AKTIENGESELLSCHAFT (DE) 1987-10-27 US disclosed
EP-0230274-A2 Derivatives of 7-(azabicycloalkyl)-quinoloncarboxylic acid and -naphthyridoncarboxylic acid BAYER AG (DE) 1987-07-29 EP disclosed
CN-85101810-A 7-amido-1-cyclopropyl-6,8-dihalo-1,4-dihydro-4-oxo-3-quinoline carboxylic acid's preparation method 1987-01-17 CN disclosed
EP-0203488-A2 7-Azolyl-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinoline carboxylic acids and 1,8-naphthyridine carboxylic acids, process for their preparation and bactericidal agents containing them BAYER AG (DE) 1986-12-03 EP disclosed
EP-0191390-A1 1-Cyclopropyl-1,4-dihydro-4-oxo-7-[4-(oxo-1,3-dioxol-4-yl-methyl)-1-piperazinyl]-quinoline-3-carboxylic acids, process for their preparation and bactericides containing them BAYER AG (DE) 1986-08-20 EP disclosed
EP-0167763-A1 7-Amino-1-cyclopropyl-6,8-dihalo-1,4-dihydro-4-oxo-3-quinoline-carboxylic acids, process for their preparation and bactericidal agents containing them BAYER AG (DE) 1986-01-15 EP disclosed
EP-0164619-A1 2,4,5-Trihalo or 2,3,4,5-tetrahalo benzene derivatives and process for producing them BAYER AG (DE) 1985-12-18 EP disclosed