SCHEMBL6507809

SCHEMBL6507809

COc1ccc(C=C2SC(=O)NC2=O)cc1C#CCN1CCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.53
PDE4B Q07343 1/20 0.53
PIM3 Q86V86 1/20 0.53
PIM2 Q9P1W9 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ESRRA P11474 4/20 0.51
IGF1R P08069 1/20 0.50
MGAM O43451 1/20 0.50
GAA P10253 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
CYP3A4 P08684 1/20 0.49
DYRK1A Q13627 7/20 0.48
HPGD P15428 3/20 0.48
CLK1 P49759 1/20 0.47
CLK2 P49760 1/20 0.47
CLK3 P49761 1/20 0.47
MELK Q14680 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
SCHEMBL6513150 0.85 PIM1 (0.50) PIM1PDE4BPIM3PIM2MEN1
SCHEMBL6513148 0.85 PIM1 (0.50) PIM1PDE4BPIM3PIM2MEN1
SCHEMBL6504488 0.83 PIM1 (0.47) PIM1PIM3PIM2IGF1RMGAM
SCHEMBL6504486 0.83 PIM1 (0.47) PIM1PIM3PIM2IGF1RMGAM
SCHEMBL6514075 0.83 PIM1 (0.55) PIM1PDE4BPIM3PIM2MEN1
SCHEMBL6507601 0.83 PIM1 (0.55) PIM1PDE4BPIM3PIM2MEN1
SCHEMBL6512714 0.81 PIM1 (0.53) PIM1PDE4BPIM3PIM2MEN1
SCHEMBL6507355 0.81 PIM1 (0.53) PIM1PDE4BPIM3PIM2MEN1
SCHEMBL6505878 0.81 ESRRA (0.58) PIM1PDE4BPIM3PIM2MEN1
SCHEMBL6510848 0.80 MGAM (0.50) PIM1PDE4BPIM3PIM2MEN1

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