SCHEMBL3874174

SCHEMBL3874174

CCn1cc(C(=O)OC2CC2)c(=O)c2c([N+](=O)[O-])c(N)c(F)c(OC)c21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOXO1 Q12778 1/20 0.36
POLB P06746 1/20 0.34
PIM1 P11309 1/20 0.34
GSK3B P49841 5/20 0.33
STAT3 P40763 1/20 0.32
HTR3A P46098 3/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL3874603 0.89 POLB (0.38) FOXO1POLBPIM1STAT3HTR3A
SCHEMBL15241559 0.82 STAT3 (0.44) POLBGSK3BSTAT3HTTKDM4E
SCHEMBL1343207 0.80 GSK3B (0.44) POLBGSK3BSTAT3HTT
SCHEMBL3870352 0.78 FOXO1 (0.44) FOXO1POLBGSK3BSTAT3HTR3A
SCHEMBL2082130 0.77 STAT3 (0.39) POLBGSK3BSTAT3HTTALDH1A1
SCHEMBL2082129 0.77 STAT3 (0.39) POLBGSK3BSTAT3HTTALDH1A1
SCHEMBL3870889 0.76 FOXO1 (0.40) FOXO1POLBGSK3BSTAT3HTR3A
SCHEMBL3820416 0.75 TOP1 (0.44) STAT3KDM4EALDH1A1TDP1
SCHEMBL3868260 0.73 GSK3B (0.42) FOXO1POLBGSK3BSTAT3HTT
SCHEMBL6171434 0.72 POLB (0.52) POLBPIM1HTR3AHTTKDM4E

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