SCHEMBL6529566

SCHEMBL6529566

COc1ccc(/C=C2/SC(=O)NC2=O)cc1C#CCc1nc(-c2ccccc2)oc1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PIM1 P11309 1/20 0.49
PDE4B Q07343 1/20 0.49
PIM3 Q86V86 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
CLK1 P49759 1/20 0.49
CLK2 P49760 1/20 0.49
CLK3 P49761 1/20 0.49
MELK Q14680 1/20 0.49
ESRRA P11474 2/20 0.48
HPGD P15428 4/20 0.47
IGF1R P08069 1/20 0.47
CYP3A4 P08684 1/20 0.47
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 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
SCHEMBL6508525 1.00 DYRK1A (0.53) DYRK1AMEN1KMT2APIM1PDE4B
SCHEMBL6534107 0.76 HPGD (0.45) PIM1PIM3PIM2HPGD
SCHEMBL6534103 0.76 HPGD (0.45) PIM1PIM3PIM2HPGD
SCHEMBL10365494 0.76 HPGD (0.61) PIM1PIM2HPGD
SCHEMBL10365493 0.76 HPGD (0.61) PIM1PIM2HPGD
SCHEMBL10364971 0.75 HPGD (0.61) PIM1PIM2HPGD
SCHEMBL10366704 0.75 HPGD (0.61) PIM1PIM2HPGD
SCHEMBL10364994 0.75 HPGD (0.61) PIM1PIM2HPGD
SCHEMBL9316762 0.74 HPGD (0.48) PIM1PIM3PIM2HPGD
SCHEMBL9316768 0.74 HPGD (0.48) PIM1PIM3PIM2HPGD

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