SCHEMBL7103787

SCHEMBL7103787

CCOC(=O)c1cnc(NCCNc2ccc([N+](=O)[O-])cn2)nc1-c1cccc(F)c1.CCc1nc(NCCNc2ccc([N+](=O)[O-])cn2)nc(-c2cc(Cl)cc(Cl)c2)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.38
MAPT P10636 5/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
JAK2 O60674 2/20 0.35
JAK3 P52333 2/20 0.35
SIRT5 Q9NXA8 2/20 0.35
ADORA3 P0DMS8 3/20 0.34
CSNK1D P48730 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
FOS P01100 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
SCHEMBL7103790 0.92 GSK3B (0.40) GSK3BMAPTNPC1RAB9AMEN1
SCHEMBL5099951 0.87 MAPT (0.47) GSK3BMAPTKDM4ENPC1RAB9A
SCHEMBL5095061 0.85 GSK3B (0.49) GSK3BMAPTKDM4ENPC1RAB9A
SCHEMBL5098932 0.81 FOS (0.47) GSK3BMAPTKDM4ENPC1RAB9A
SCHEMBL5092547 0.79 MAPT (0.46) GSK3BMAPTKDM4ENPC1RAB9A
SCHEMBL7857033 0.79 GSK3B (0.35) GSK3BMAPTKDM4ENPC1RAB9A
SCHEMBL5089344 0.79 MAPT (0.48) GSK3BMAPTKDM4ENPC1RAB9A
SCHEMBL5094456 0.79 GSK3B (0.49) GSK3BMAPTKDM4ENPC1RAB9A
SCHEMBL5092467 0.79 MAPT (0.50) GSK3BMAPTKDM4ENPC1RAB9A
SCHEMBL5092748 0.78 MAPT (0.45) GSK3BMAPTKDM4ENPC1RAB9A

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