SCHEMBL2905948

SCHEMBL2905948

N#Cc1ccc(-c2cn(CCCNc3ccc([N+](=O)[O-])c(N)n3)cc2C(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 2/20 0.37
KAT2B Q92831 1/20 0.35
GSK3B P49841 4/20 0.34
GSK3A P49840 3/20 0.34
MAP4K4 O95819 1/20 0.33
CDK1 P06493 2/20 0.33
FOLH1 Q04609 1/20 0.32
CCNB2 O95067 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
SIRT5 Q9NXA8 2/20 0.32
KDM1A O60341 1/20 0.32
DPP7 Q9UHL4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
DHFR P00374 1/20 0.30
IKBKB O14920 1/20 0.30

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
SCHEMBL2912022 0.89 GSK3B (0.34) EIF4EKAT2BGSK3BGSK3ACDK1
SCHEMBL2909714 0.89 GSK3B (0.36) EIF4EGSK3BGSK3AMAP4K4CDK1
SCHEMBL2907084 0.89 GSK3B (0.37) EIF4EKAT2BGSK3BGSK3ACDK1
SCHEMBL2904891 0.89 GSK3B (0.42) EIF4EGSK3BGSK3AMAP4K4CDK1
SCHEMBL2911792 0.89 GSK3B (0.36) EIF4EGSK3BGSK3ACDK1FOLH1
SCHEMBL2907085 0.88 SCN9A (0.34) KAT2BGSK3BGSK3AMAP4K4FOLH1
SCHEMBL2909954 0.88 SCN9A (0.34) KAT2BGSK3BGSK3AMAP4K4FOLH1
SCHEMBL2904612 0.87 GSK3B (0.36) KAT2BGSK3BGSK3ACDK1FOLH1
SCHEMBL2907197 0.87 SCN9A (0.33) KAT2BGSK3BGSK3AMAP4K4KDM1A
SCHEMBL2910322 0.87 SCN9A (0.33) KAT2BGSK3BGSK3AMAP4K4KDM1A

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