SCHEMBL9626229

SCHEMBL9626229

CC1(n2cc(OC(=O)O)c(=O)c3cc(F)c(N4CCNC(c5ccccc5)C4)c(Cl)c32)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
PMP22 Q01453 1/20 0.39
POLB P06746 2/20 0.39
OPRM1 P35372 2/20 0.39
PRKD3 O94806 1/20 0.39
ALOX15 P16050 1/20 0.39
CLK2 P49760 1/20 0.39
KCNH2 Q12809 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
OPRD1 P41143 1/20 0.38
TOP1 P11387 7/20 0.36
PDE10A Q9Y233 1/20 0.35
PRKCQ Q04759 1/20 0.34
CYP3A4 P08684 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
SCHEMBL9626386 0.93 KDM4E (0.45) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL9626227 0.90 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL9627822 0.89 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL9636153 0.85 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL9627123 0.84 TOP2A (0.39) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL9626383 0.82 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL10863653 0.80 KDM4E (0.53) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL9627087 0.80 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL10914440 0.79 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10PMP22
SCHEMBL9627817 0.78 KDM4E (0.62) ALDH1A1KDM4EHPGDHSD17B10PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0198192-B1 7-AMINO-1-(SUBST.CYCLOPROPYL)-1,4 -DIHYDRO-4-OXO-QUINOLINE CARBOXYLIC ACIDS, METHOD FOR THEIR PREPARATION, AND ANTIBACTERIAL AGENTS CONTAINING THEM BAYER AG (DE) 1992-05-13 EP claimed
EP-0198192-A1 7-Amino-1-(subst.cyclopropyl)-1,4 -dihydro-4-oxo-quinoline carboxylic acids, method for their preparation, and antibacterial agents containing them BAYER AG (DE) 1986-10-22 EP claimed
EP-0198192-B1 7-AMINO-1-(SUBST.CYCLOPROPYL)-1,4 -DIHYDRO-4-OXO-QUINOLINE CARBOXYLIC ACIDS, METHOD FOR THEIR PREPARATION, AND ANTIBACTERIAL AGENTS CONTAINING THEM BAYER AG (DE) 1992-05-13 EP disclosed
EP-0300155-A2 Cyclopropyl amines BAYER AG (DE) 1989-01-25 EP disclosed
EP-0198192-A1 7-Amino-1-(subst.cyclopropyl)-1,4 -dihydro-4-oxo-quinoline carboxylic acids, method for their preparation, and antibacterial agents containing them BAYER AG (DE) 1986-10-22 EP disclosed