SCHEMBL2912884

SCHEMBL2912884

Nc1nc(NCCCn2cc(C(=O)O)c(-c3ccccc3Cl)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.40
GSK3A P49840 4/20 0.40
CDK1 P06493 2/20 0.38
CCNB2 O95067 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.36
EIF4E P06730 2/20 0.36
SIRT5 Q9NXA8 2/20 0.36
FOLH1 Q04609 1/20 0.33
PRKCQ Q04759 2/20 0.33
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
PLA2G1B P04054 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL1219415 0.90 GSK3B (0.51) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2910220 0.88 GSK3B (0.39) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2906887 0.88 GSK3B (0.43) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2912175 0.87 GSK3B (0.51) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2904891 0.87 GSK3B (0.42) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2909683 0.86 GSK3B (0.38) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2909735 0.86 GSK3B (0.38) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL12632071 0.86 GSK3B (0.38) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL1216751 0.86 GSK3B (0.38) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2912135 0.86 GSK3B (0.38) GSK3BGSK3ACDK1CCNB2CCNB1

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
EP-1537099-B1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-08-11 EP disclosed