SCHEMBL28440261

SCHEMBL28440261

COCCOC(=O)c1cn(C2CC2)c2cc(F)c(F)cc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
CYP1A2 P05177 1/20 0.47
TOP2A P11388 1/20 0.47
CYP2C9 P11712 1/20 0.47
TOP2B Q02880 1/20 0.47
KMT2A Q03164 1/20 0.47
ADRB2 P07550 1/20 0.45
PIK3CG P48736 3/20 0.43
PIK3CD O00329 1/20 0.43
PIK3R1 P27986 1/20 0.43
PIK3CA P42336 1/20 0.43
GSK3B P49841 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL22506783 0.92 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL22506776 0.92 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL24137202 0.91 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL22795687 0.90 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL22497583 0.90 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL24137175 0.90 ADRB2 (0.45) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL24137165 0.89 ADRB2 (0.47) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL22506773 0.89 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL22497602 0.89 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL24137179 0.88 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10LMNA

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