SCHEMBL7148207

SCHEMBL7148207

O=C(O)c1cnc(NCCNc2ccc([N+](=O)[O-])cn2)nc1-c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.46
TNNI3 P19429 1/20 0.46
TNNT2 P45379 1/20 0.46
TNNC1 P63316 1/20 0.46
MKNK1 Q9BUB5 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.44
DPP4 P27487 2/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
EIF4A1 P60842 1/20 0.41
MAPT P10636 5/20 0.41
PAX8 Q06710 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 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
SCHEMBL5089309 0.88 MAPT (0.46) GSK3BTNNI3TNNT2TNNC1MKNK1
SCHEMBL5100095 0.85 MAPT (0.48) GSK3BMKNK1MKNK2POLBSMN1; SMN2
SCHEMBL5089316 0.83 GSK3B (0.48) GSK3BMKNK1MKNK2POLBSMN1; SMN2
SCHEMBL6085675 0.83 MAPT (0.47) GSK3BMKNK1MKNK2POLBSMN1; SMN2
SCHEMBL27559775 0.81 GSK3B (0.48) GSK3BMKNK1MKNK2POLBSMN1; SMN2
SCHEMBL7027680 0.81 GSK3B (0.49) GSK3BMKNK1MKNK2POLBSMN1; SMN2
SCHEMBL7021102 0.80 GSK3B (0.46) GSK3BMKNK1MKNK2POLBSMN1; SMN2
SCHEMBL7026103 0.80 GSK3B (0.45) GSK3BMKNK1MKNK2POLBSMN1; SMN2
SCHEMBL5093412 0.79 GSK3B (0.57) GSK3BMKNK1MKNK2POLBSMN1; SMN2
SCHEMBL5100625 0.79 DPP4 (0.49) GSK3BMKNK1MKNK2POLBSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed