SCHEMBL28433719

SCHEMBL28433719

CCOCCOC(=O)c1cn(CC)c2cc(Cl)c(F)cc2c1=O

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
HPGD P15428 5/20 0.54
HSD17B10 Q99714 5/20 0.54
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 4/20 0.53
LMNA P02545 3/20 0.50
DRD3 P35462 1/20 0.44
BRD4 O60885 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
CYP2J2 P51589 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 3/20 0.42
MEN1 O00255 3/20 0.42
RAD52 P43351 1/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL28331881 0.90 POLB (0.56) POLBHPGDHSD17B10KDM4EALDH1A1
SCHEMBL8041564 0.90 POLB (0.69) POLBHPGDHSD17B10KDM4EALDH1A1
SCHEMBL29823822 0.90 POLB (0.69) POLBHPGDHSD17B10KDM4EALDH1A1
SCHEMBL10472032 0.84 POLB (0.55) POLBHPGDHSD17B10KDM4EALDH1A1
SCHEMBL22506767 0.84 KDM4E (0.47) POLBHPGDHSD17B10KDM4EALDH1A1
SCHEMBL541725 0.83 POLB (0.54) POLBHPGDHSD17B10KDM4EALDH1A1
SCHEMBL27604268 0.81 POLB (0.53) POLBHPGDHSD17B10KDM4EALDH1A1
SCHEMBL28431713 0.81 KMT2A (0.60) POLBHPGDHSD17B10KDM4EALDH1A1
SCHEMBL11067835 0.81 KMT2A (0.60) POLBHPGDHSD17B10KDM4EALDH1A1
SCHEMBL11398510 0.81 KMT2A (0.60) POLBHPGDHSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111320581-A Synthesis method of quinoline carboxylic ester 山东省联合农药工业有限公司 2020-06-23 CN disclosed