SCHEMBL2911017

SCHEMBL2911017

CCc1ccc(-c2cn(CCCNc3ccc([N+](=O)[O-])c(N)n3)cc2C(=O)NC[C@@H](C)O)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.33
GSK3A P49840 2/20 0.33
ACVR1 Q04771 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIRT5 Q9NXA8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
PPARG P37231 1/20 0.30
KAT2B Q92831 1/20 0.30
CDK1 P06493 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
SCHEMBL2911391 1.00 GSK3B (0.33) GSK3BGSK3AACVR1ALDH1A1SMN1; SMN2
SCHEMBL2911036 0.92 ALDH1A1 (0.34) GSK3BGSK3AALDH1A1SMN1; SMN2ADORA2A
SCHEMBL2911588 0.92 ALDH1A1 (0.34) GSK3BGSK3AALDH1A1SMN1; SMN2ADORA2A
SCHEMBL2904632 0.92 LMNA (0.34) GSK3BGSK3AACVR1ALDH1A1SMN1; SMN2
SCHEMBL2907242 0.92 LMNA (0.34) GSK3BGSK3AACVR1ALDH1A1SMN1; SMN2
SCHEMBL2912251 0.92 SMN1; SMN2 (0.40) GSK3BGSK3AALDH1A1SMN1; SMN2CDK1
SCHEMBL2908179 0.92 MET (0.34) GSK3BGSK3AACVR1ALDH1A1SMN1; SMN2
SCHEMBL2904193 0.92 SMN1; SMN2 (0.40) GSK3BGSK3AALDH1A1SMN1; SMN2CDK1
SCHEMBL2938731 0.92 MET (0.34) GSK3BGSK3AACVR1ALDH1A1SMN1; SMN2
SCHEMBL2907828 0.90 HPGD (0.36) GSK3BGSK3AALDH1A1SMN1; SMN2

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