SCHEMBL1345565

SCHEMBL1345565

CCC1Oc2c(F)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn(c23)[C@H]1CF

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.35
TOP2A P11388 3/20 0.35
TOP2B Q02880 3/20 0.35
GSK3B P49841 9/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
STAT3 P40763 1/20 0.32
TOP1 P11387 1/20 0.31
CACNA1F O60840 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
CACNA1D Q01668 1/20 0.31
KCNH2 Q12809 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
FOXO1 Q12778 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
SCHEMBL1345435 0.78 TOP2A (0.42) TOP2ATOP2BGSK3BMEN1KMT2A
SCHEMBL2570886 0.78 TOP2A (0.42) TOP2ATOP2BGSK3BMEN1KMT2A
SCHEMBL1345437 0.78 TOP2A (0.42) TOP2ATOP2BGSK3BMEN1KMT2A
SCHEMBL2570884 0.78 TOP2A (0.42) TOP2ATOP2BGSK3BMEN1KMT2A
SCHEMBL1344390 0.77 CNR1 (0.45) TOP2ATOP2BKMT2ATOP1POLB
SCHEMBL2194453 0.76 TOP2A (0.56) TOP2ATOP2BGSK3BKMT2APOLB
SCHEMBL1345049 0.74 GSK3B (0.42) TOP2ATOP2BGSK3BMEN1KMT2A
SCHEMBL1184931 0.72 GSK3B (0.37) PIM1GSK3B
SCHEMBL1344895 0.71 STAT3 (0.40) TOP2ATOP2BGSK3BMEN1KMT2A
SCHEMBL1342568 0.71 STAT3 (0.40) TOP2ATOP2BGSK3BMEN1KMT2A

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
US-8063221-B2 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 US disclosed
EP-2383271-A1 Aminoquinolones as GSK-3 Inhibitors Kyorin Pharmaceutical Co., Ltd. (JP) 2011-11-02 EP disclosed