SCHEMBL6505878

SCHEMBL6505878

COc1ccc(C=C2SC(=O)NC2=O)cc1C#CCn1c2ccccc2c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 4/20 0.58
CYP3A4 P08684 2/20 0.58
PIM1 P11309 1/20 0.57
PDE4B Q07343 1/20 0.57
PIM3 Q86V86 1/20 0.57
PIM2 Q9P1W9 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
IGF1R P08069 1/20 0.54
MGAM O43451 1/20 0.54
GAA P10253 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
HPGD P15428 3/20 0.52
DYRK1A Q13627 6/20 0.52
CLK1 P49759 1/20 0.51
CLK2 P49760 1/20 0.51
CLK3 P49761 1/20 0.51
MELK Q14680 1/20 0.51

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
SCHEMBL6507601 0.83 PIM1 (0.55) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL6514075 0.83 PIM1 (0.55) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL6512714 0.81 PIM1 (0.53) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL6507355 0.81 PIM1 (0.53) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL6507951 0.81 PIM1 (0.52) PIM1PIM3PIM2MEN1KMT2A
SCHEMBL6532952 0.81 PIM1 (0.52) PIM1PIM3PIM2MEN1KMT2A
SCHEMBL6509896 0.81 PIM1 (0.51) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL6509891 0.81 PIM1 (0.51) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL6507809 0.81 PIM1 (0.53) ESRRACYP3A4PIM1PDE4BPIM3
SCHEMBL6510852 0.81 MGAM (0.50) ESRRACYP3A4PIM1PDE4BPIM3

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