SCHEMBL6530823

SCHEMBL6530823

COc1ccc(C=C2SC(=O)NC2=O)cc1C#CCN(C)c1nc2ccccc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.59
PIM1 P11309 1/20 0.49
PDE4B Q07343 1/20 0.49
PIM3 Q86V86 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ESRRA P11474 2/20 0.48
DYRK1A Q13627 7/20 0.47
IGF1R P08069 1/20 0.47
CYP3A4 P08684 1/20 0.47
CLK1 P49759 1/20 0.47
CLK2 P49760 1/20 0.47
CLK3 P49761 1/20 0.47
MELK Q14680 1/20 0.47
HDAC4 P56524 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45

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
SCHEMBL6514148 0.85 PPARG (0.68) PPARGPIM1PIM3PIM2HDAC4
SCHEMBL6510850 0.82 PIM1 (0.48) PIM1PDE4BPIM3PIM2MEN1
SCHEMBL2177332 0.75 PPARG (1.00) PPARGPIM1PIM2HDAC4HDAC8
SCHEMBL2177329 0.75 PPARG (1.00) PPARGPIM1PIM2HDAC4HDAC8
SCHEMBL12520491 0.75 PPARG (1.00) PPARGPIM1PIM2HDAC4HDAC8
SCHEMBL12521900 0.74 PPARG (0.91) PPARGPIM1PIM2HDAC4HDAC8
SCHEMBL6505878 0.73 ESRRA (0.58) PIM1PDE4BPIM3PIM2MEN1
SCHEMBL6507601 0.71 PIM1 (0.55) PIM1PDE4BPIM3PIM2MEN1
SCHEMBL6514075 0.71 PIM1 (0.55) PIM1PDE4BPIM3PIM2MEN1
SCHEMBL6529566 0.70 DYRK1A (0.53) 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 1 patent. 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 disclosed