SCHEMBL6509896

SCHEMBL6509896

COc1ccc(C=C2SC(=O)NC2=O)cc1C#CCN1C(=O)CSc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.51
PDE4B Q07343 1/20 0.51
PIM3 Q86V86 1/20 0.51
PIM2 Q9P1W9 1/20 0.51
MGAM O43451 1/20 0.51
GAA P10253 1/20 0.51
SI P14410 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ESRRA P11474 4/20 0.49
DYRK1A Q13627 7/20 0.49
IGF1R P08069 1/20 0.48
CYP3A4 P08684 2/20 0.48
HPGD P15428 3/20 0.47
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
CLK3 P49761 1/20 0.46
MELK Q14680 1/20 0.46

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
SCHEMBL6509891 1.00 PIM1 (0.51) PIM1PDE4BPIM3PIM2MGAM
SCHEMBL6507601 0.90 PIM1 (0.55) PIM1PDE4BPIM3PIM2MGAM
SCHEMBL6514075 0.90 PIM1 (0.55) PIM1PDE4BPIM3PIM2MGAM
SCHEMBL6510852 0.84 MGAM (0.50) PIM1PDE4BPIM3PIM2MGAM
SCHEMBL6510848 0.84 MGAM (0.50) PIM1PDE4BPIM3PIM2MGAM
SCHEMBL6512065 0.84 PIM1 (0.45) PIM1PIM3PIM2MGAMGAA
SCHEMBL6512061 0.84 PIM1 (0.45) PIM1PIM3PIM2MGAMGAA
SCHEMBL6512714 0.83 PIM1 (0.53) PIM1PDE4BPIM3PIM2MGAM
SCHEMBL6507355 0.83 PIM1 (0.53) PIM1PDE4BPIM3PIM2MGAM
SCHEMBL6505878 0.81 ESRRA (0.58) PIM1PDE4BPIM3PIM2MGAM

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
WO-2005058813-A2 THIODIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND DIAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-06-30 WO claimed
WO-2005058813-A2 THIODIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND DIAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-06-30 WO disclosed