SCHEMBL7856342

SCHEMBL7856342

CN1CCN(c2ccc(-c3nc(NCCNc4ccc([N+](=O)[O-])cn4)ncc3C(=O)O)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.45
SIRT6 Q8N6T7 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GSK3B P49841 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
CHEK1 O14757 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
POLB P06746 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
BRD4 O60885 2/20 0.39
STAT6 P42226 1/20 0.39
JAK2 O60674 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7856343 1.00 DPP4 (0.45) DPP4SIRT6ALDH1A1GSK3BGAA
SCHEMBL7198334 0.91 MEN1 (0.46) DPP4ALDH1A1GSK3BGAAMKNK1
SCHEMBL5099914 0.90 BRD4 (0.44) DPP4SIRT6ALDH1A1GAALMNA
SCHEMBL5089316 0.87 GSK3B (0.48) DPP4ALDH1A1GSK3BGAALMNA
SCHEMBL7026103 0.85 GSK3B (0.45) DPP4ALDH1A1GSK3BGAALMNA
SCHEMBL27559770 0.83 GSK3B (0.44) DPP4ALDH1A1GSK3BGAALMNA
SCHEMBL5093721 0.83 GSK3B (0.45) DPP4SIRT6ALDH1A1GSK3BGAA
SCHEMBL7146519 0.83 MAPT (0.53) DPP4ALDH1A1GSK3BGAALMNA
SCHEMBL6639575 0.83 GSK3B (0.44) DPP4ALDH1A1GSK3BGAALMNA
SCHEMBL27541731 0.83 KMT2A (0.48) DPP4ALDH1A1GSK3BGAAMKNK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO disclosed