SCHEMBL2912175

SCHEMBL2912175

Nc1nc(NCCCCn2cc(C(=O)O)c(-c3ccc(Cl)cc3Cl)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.51
GSK3A P49840 3/20 0.51
CDK1 P06493 2/20 0.48
CCNB2 O95067 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
EIF4E P06730 3/20 0.37
FOLH1 Q04609 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HSD11B1 P28845 1/20 0.34
CDK2 P24941 2/20 0.33
SIRT5 Q9NXA8 1/20 0.33
PLA2G1B P04054 1/20 0.33
MAPT P10636 1/20 0.33
ATG4B Q9Y4P1 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
SCHEMBL1219415 0.97 GSK3B (0.51) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2906807 0.89 GSK3B (0.45) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2906887 0.89 GSK3B (0.43) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2909927 0.89 GSK3B (0.49) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2912884 0.87 GSK3B (0.40) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2909523 0.87 GSK3B (0.48) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2911606 0.87 GSK3B (0.48) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2911032 0.87 GSK3B (0.45) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2904498 0.87 GSK3B (0.47) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2934514 0.87 GSK3B (0.47) 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