SCHEMBL3870889

SCHEMBL3870889

CCn1cc(C(=O)OC2CC2)c(=O)c2c(N)c(F)c(F)c(OC(C)C)c21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOXO1 Q12778 1/20 0.40
GSK3B P49841 5/20 0.38
STAT3 P40763 1/20 0.34
HTR3A P46098 7/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
HTT P42858 1/20 0.34
CACNA1F O60840 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
CACNA1D Q01668 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TOP2A P11388 1/20 0.33
TOP2B Q02880 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
SCHEMBL3870352 0.87 FOXO1 (0.44) FOXO1GSK3BSTAT3HTR3AKDM4E
SCHEMBL3869157 0.82 KDM4E (0.42) STAT3HTR3AKDM4EALDH1A1KCNH2
SCHEMBL1345019 0.79 GSK3B (0.50) GSK3BSTAT3CACNA1FPOLBMAPK1
SCHEMBL3868260 0.76 GSK3B (0.42) FOXO1GSK3BSTAT3KDM4EALDH1A1
SCHEMBL3874174 0.76 FOXO1 (0.36) FOXO1GSK3BSTAT3HTR3AKDM4E
SCHEMBL1343006 0.73 GSK3B (0.65) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL7158963 0.72 KDM4E (0.49) STAT3HTR3AKDM4EALDH1A1TDP1
SCHEMBL7810902 0.71 GSK3B (0.48) GSK3BSTAT3CACNA1FPOLBMAPK1
SCHEMBL3874603 0.70 POLB (0.38) FOXO1STAT3HTR3AKDM4EALDH1A1
SCHEMBL3820416 0.70 TOP1 (0.44) STAT3KDM4EALDH1A1KCNH2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013182-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS Activx Biosciences, Inc. (US) 2009-01-14 EP disclosed
WO-2007106537-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2007-09-20 WO disclosed