SCHEMBL2909480

SCHEMBL2909480

Nc1nc(NCCCn2cc(C(=O)NCc3nc4ccccc4[nH]3)c(-c3ccc(Cl)cc3Cl)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.43
GSK3A P49840 3/20 0.43
CDK1 P06493 2/20 0.43
CCNB2 O95067 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
MAPT P10636 5/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 2/20 0.35
SLC40A1 Q9NP59 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2909753 0.88 HPGD (0.47) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2907421 0.87 GSK3B (0.43) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2910290 0.87 GSK3B (0.43) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2910338 0.87 GSK3B (0.45) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2904086 0.85 HPGD (0.45) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2911606 0.85 GSK3B (0.48) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2909523 0.85 GSK3B (0.48) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2904255 0.84 GSK3B (0.47) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2910223 0.84 GSK3B (0.48) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2904121 0.84 GSK3B (0.44) 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