SCHEMBL20804282

SCHEMBL20804282

COc1ccc(CCc2cccc(CN3C(=O)C=CC3=O)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.69
GSK3B P49841 3/20 0.69
CMA1 P23946 2/20 0.54
MAPT P10636 3/20 0.50
NR1H3 Q13133 3/20 0.50
TP53 P04637 2/20 0.50
CHRM5 P08912 1/20 0.50
LMNA P02545 1/20 0.50
CASP3 P42574 1/20 0.48
MGLL Q99685 3/20 0.47
FAAH O00519 1/20 0.47
NR1H2 P55055 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HSP90AA1 P07900 1/20 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
SCHEMBL7226680 0.83 CMA1 (0.76) GSK3AGSK3BCMA1MAPTTP53
SCHEMBL3384174 0.83 GSK3A (1.00) GSK3AGSK3BCMA1MAPTCHRM5
SCHEMBL140975 0.79 MGLL (0.72) GSK3AGSK3BCMA1MAPTLMNA
SCHEMBL3381344 0.77 GSK3A (1.00) GSK3AGSK3BCMA1MGLLHSP90AA1
SCHEMBL22402810 0.75 TUBB4A (0.51) NR1H3
SCHEMBL4949653 0.74 TAAR1 (0.67) NR1H3NR1H2
SCHEMBL21348197 0.73 GSK3A (0.68) GSK3AGSK3BCMA1MAPTCHRM5
SCHEMBL17123192 0.72 GSK3A (0.66) GSK3AGSK3BCMA1MAPTCHRM5
SCHEMBL1542663 0.72 HSP90AA1 (0.71) GSK3AGSK3BMAPTTP53LMNA
SCHEMBL7224723 0.72 MGLL (0.60) GSK3AGSK3BMAPTTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3089962-B1 RADIOIODINATED COMPOUNDS NUTECH VENTURES (US) 2019-03-13 EP disclosed