SCHEMBL7100351

SCHEMBL7100351

O=[N+]([O-])c1ccc(NC[CH]c2ncc(CN3CCOCC3)c(-c3ccc(Cl)cc3Cl)n2)nc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.45
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KCNJ1 P48048 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
CTSB P07858 1/20 0.38
CYP2A13 Q16696 1/20 0.38
SLC2A2 P11168 1/20 0.38
PSD A5PKW4 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL4395990 0.86 GSK3B (0.61) GSK3BALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7100354 0.81 GSK3B (0.41) GSK3BALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7852234 0.81 GSK3B (0.51) GSK3BALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL4972151 0.80 GSK3B (0.46) GSK3BALDH1A1MAPTLMNANPC1
SCHEMBL7022779 0.77 GSK3B (0.73) GSK3BALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL4970607 0.76 GSK3B (0.55) GSK3BALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL4970968 0.75 GSK3B (0.57) GSK3BALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7854664 0.73 GSK3B (0.51) GSK3BALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL4400415 0.73 GSK3B (0.63) GSK3BALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7852598 0.73 GSK3B (0.49) GSK3BALDH1A1MAPTLMNASMN1; 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 4 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
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