SCHEMBL6510848

SCHEMBL6510848

COc1ccc(/C=C2/SC(=O)NC2=O)cc1C#CCN1C(=O)COc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.50
GAA P10253 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
PIM1 P11309 1/20 0.50
PDE4B Q07343 1/20 0.50
PIM3 Q86V86 1/20 0.50
PIM2 Q9P1W9 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PIK3CG P48736 4/20 0.49
ESRRA P11474 2/20 0.49
DYRK1A Q13627 6/20 0.48
IGF1R P08069 1/20 0.48
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
HPGD P15428 2/20 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
SCHEMBL6510852 1.00 MGAM (0.50) MGAMGAASIMGAM2PIM1
SCHEMBL6507355 0.90 PIM1 (0.53) MGAMGAASIMGAM2PIM1
SCHEMBL6512714 0.90 PIM1 (0.53) MGAMGAASIMGAM2PIM1
SCHEMBL6513148 0.85 PIM1 (0.50) MGAMGAASIMGAM2PIM1
SCHEMBL6513150 0.85 PIM1 (0.50) MGAMGAASIMGAM2PIM1
SCHEMBL6514075 0.84 PIM1 (0.55) MGAMGAASIMGAM2PIM1
SCHEMBL6507601 0.84 PIM1 (0.55) MGAMGAASIMGAM2PIM1
SCHEMBL6509891 0.84 PIM1 (0.51) MGAMGAASIMGAM2PIM1
SCHEMBL6509896 0.84 PIM1 (0.51) MGAMGAASIMGAM2PIM1
SCHEMBL6507569 0.84 PIK3CG (0.49) MGAMGAASIMGAM2PIM1

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