SCHEMBL2907084

SCHEMBL2907084

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.37
GSK3A P49840 3/20 0.37
EIF4E P06730 1/20 0.35
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
KAT2B Q92831 1/20 0.34
S1PR4 O95977 1/20 0.34
ADRB2 P07550 1/20 0.34
S1PR1 P21453 1/20 0.34
NOD2 Q9HC29 1/20 0.34
CDK1 P06493 2/20 0.34
FOLH1 Q04609 1/20 0.33
AXL P30530 2/20 0.33
MERTK Q12866 2/20 0.33
CCNB2 O95067 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL2904612 0.91 GSK3B (0.36) GSK3BGSK3AKAT2BCDK1FOLH1
SCHEMBL2911792 0.91 GSK3B (0.36) GSK3BGSK3AEIF4ELMNACDK1
SCHEMBL2909714 0.91 GSK3B (0.36) GSK3BGSK3AEIF4ELMNAMAPT
SCHEMBL2904891 0.91 GSK3B (0.42) GSK3BGSK3AEIF4ELMNAMAPT
SCHEMBL2912610 0.91 MAPT (0.38) GSK3BGSK3AEIF4ELMNAMAPT
SCHEMBL2904943 0.89 GSK3B (0.35) GSK3BGSK3ALMNAMAPTKAT2B
SCHEMBL2911406 0.89 EIF4E (0.37) GSK3BGSK3AEIF4ELMNAMAPT
SCHEMBL2905948 0.89 EIF4E (0.37) GSK3BGSK3AEIF4EMAPTKAT2B
SCHEMBL2909788 0.88 GSK3B (0.34) GSK3BGSK3ALMNAMAPTS1PR4
SCHEMBL2912533 0.88 GSK3B (0.34) GSK3BGSK3ALMNAMAPTS1PR4

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