SCHEMBL5553339

SCHEMBL5553339

Nc1nc(Nc2ccccc2)sc1CC=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
CCNA2 P20248 6/20 0.51
CDK2 P24941 6/20 0.51
NPC1 O15118 4/20 0.51
CDK5 Q00535 4/20 0.51
CDK5R1 Q15078 4/20 0.51
RAB9A P51151 3/20 0.51
GSK3B P49841 2/20 0.51
GSK3A P49840 1/20 0.51
MAPK14 Q16539 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
PSMD14 O00487 1/20 0.48
PTGDR2 Q9Y5Y4 4/20 0.47
GAA P10253 3/20 0.47

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
SCHEMBL27742183 0.82 MAPT (0.48) MAPTCCNA2CDK2NPC1CDK5
SCHEMBL7756995 0.77 MAPT (0.68) MAPTCCNA2CDK2NPC1CDK5
SCHEMBL1248421 0.71 CCNA2 (0.49) MAPTCCNA2CDK2NPC1CDK5
SCHEMBL7757552 0.71 CCNA2 (0.76) MAPTCCNA2CDK2NPC1CDK5
SCHEMBL7753436 0.71 CCNA2 (0.76) MAPTCCNA2CDK2NPC1CDK5
SCHEMBL1247904 0.70 GSK3B (0.48) MAPTCCNA2CDK2NPC1CDK5
SCHEMBL1250529 0.69 NPC1 (0.72) MAPTCCNA2CDK2NPC1CDK5
SCHEMBL1249747 0.69 MAPT (0.46) MAPTCCNA2CDK2NPC1CDK5
SCHEMBL1250757 0.69 MAPT (0.52) MAPTCCNA2CDK2NPC1CDK5
SCHEMBL4558262 0.69 MAPT (0.67) MAPTCCNA2CDK2NPC1CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1430120-A4 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA ALCON INC (CH) 2007-06-20 EP claimed
EP-1430120-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA Alcon, Inc. (CH) 2004-06-23 EP claimed
WO-2003027275-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA ALCON, INC. (CH) 2003-04-03 WO claimed
EP-1430120-A4 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA ALCON INC (CH) 2007-06-20 EP disclosed
EP-1430120-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA Alcon, Inc. (CH) 2004-06-23 EP disclosed
WO-2003027275-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA ALCON, INC. (CH) 2003-04-03 WO disclosed