SCHEMBL9671817

SCHEMBL9671817

CCOC=C(C(=O)OCC)C(=O)c1cc(Cl)c(F)c(Cl)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
NPSR1 Q6W5P4 6/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.35
GPR35 Q9HC97 3/20 0.35
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 2/20 0.33
ABCB1 P08183 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 1/20 0.33
GLO1 Q04760 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8434382 0.91 NPSR1 (0.40) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL8434385 0.91 NPSR1 (0.40) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL30181310 0.91 NPSR1 (0.40) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL5525140 0.90 NPSR1 (0.39) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL7005347 0.90 NPSR1 (0.39) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL5525144 0.90 NPSR1 (0.39) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL29733801 0.90 NPSR1 (0.39) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL8437663 0.88
SCHEMBL8437666 0.88
SCHEMBL6215109 0.85 MAPT (0.37) MAPTNPSR1MEN1KMT2ALMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274033-B1 PROCESS FOR THE PREPARATION OF QUINOLINECARBOXYLIC ACIDS BAYER AG (DE) 1992-03-11 EP disclosed
EP-0191390-B1 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) 1989-08-23 EP 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
EP-0274033-A1 Process for the preparation of quinolinecarboxylic acids BAYER AG (DE) 1988-07-13 EP 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