SCHEMBL8813162

SCHEMBL8813162

COc1ccc(Cn2ccc3c(C=C4SC(=O)NC4=O)cccc32)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.51
PARP1 P09874 9/20 0.50
GSK3A P49840 1/20 0.48
PIM1 P11309 2/20 0.47
AKR1B1 P15121 2/20 0.47
PIM2 Q9P1W9 2/20 0.47
CA2 P00918 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ATM Q13315 1/20 0.44
HPGD P15428 1/20 0.44
FOXM1 Q08050 1/20 0.44

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
SCHEMBL8813157 1.00 GSK3B (0.51) GSK3BPARP1GSK3APIM1AKR1B1
SCHEMBL8814226 0.93 GSK3B (0.51) GSK3BPARP1GSK3APIM1AKR1B1
SCHEMBL8814220 0.93 GSK3B (0.51) GSK3BPARP1GSK3APIM1AKR1B1
SCHEMBL8813170 0.89 CSNK2A2 (0.44) GSK3BPARP1GSK3APIM1AKR1B1
SCHEMBL8687046 0.89 PARP1 (0.56) PARP1GSK3APIM1AKR1B1PIM2
SCHEMBL8685487 0.89 PARP1 (0.56) PARP1GSK3APIM1AKR1B1PIM2
SCHEMBL8685971 0.86 PARP1 (0.58) GSK3BPARP1GSK3APIM1AKR1B1
SCHEMBL8809361 0.86 PARP1 (0.58) GSK3BPARP1GSK3APIM1AKR1B1
SCHEMBL8808793 0.86 PARP1 (0.60) GSK3BPARP1GSK3APIM1AKR1B1
SCHEMBL8691075 0.86 PARP1 (0.60) GSK3BPARP1GSK3APIM1AKR1B1

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-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed