SCHEMBL6972871

SCHEMBL6972871

COc1cc(C=CC=C2SC(=O)NC2=O)ccc1OC(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.58
PIM1 P11309 2/20 0.58
PIM3 Q86V86 2/20 0.58
PIM2 Q9P1W9 2/20 0.58
IGF1R P08069 2/20 0.52
HPGD P15428 9/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GSK3B P49841 2/20 0.49
CDC7 O00311 1/20 0.49
DAPK3 O43293 1/20 0.49
DYRK3 O43781 1/20 0.49
MAP4K4 O95819 1/20 0.49
PHKG2 P15735 1/20 0.49
RPS6KB1 P23443 1/20 0.49
CSNK1D P48730 1/20 0.49
CLK2 P49760 1/20 0.49
GSK3A P49840 1/20 0.49
NEK4 P51957 1/20 0.49
CSNK2A1 P68400 1/20 0.49

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
SCHEMBL6972866 1.00 PDE4B (0.58) PDE4BPIM1PIM3PIM2IGF1R
SCHEMBL8335512 0.86 PDE4B (0.46) PDE4BPIM1PIM3PIM2IGF1R
SCHEMBL3669823 0.83 IGF1R (0.60) PDE4BPIM1PIM3PIM2IGF1R
SCHEMBL4261320 0.82 PIM1 (0.73) PDE4BPIM1PIM3PIM2IGF1R
SCHEMBL6973629 0.80 PIM1 (0.50) PIM1PIM2HPGDMEN1KMT2A
SCHEMBL3668631 0.79 TRPA1 (0.64) PDE4BPIM1PIM3PIM2IGF1R
SCHEMBL8179972 0.79 IGF1R (0.71) PDE4BPIM1PIM3PIM2IGF1R
SCHEMBL6583873 0.78 PDE4B (0.43) PDE4BPIM1PIM3PIM2HPGD
SCHEMBL6583878 0.78 PDE4B (0.43) PDE4BPIM1PIM3PIM2HPGD
SCHEMBL8180280 0.78 PIM1 (0.70) PDE4BPIM1PIM3PIM2IGF1R

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783496-B9 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-09-03 EP disclosed
EP-0783496-B1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-26 EP disclosed
US-5965589-A AN ACTIVE MATERIAL HAVING HYPOGLYCEMIC ACTIVITY AND BLOOD LIPID LOWERING ACTIVITY, FOR USE AS AN ANTIDIABETIC AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-12 US disclosed
EP-0783496-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-07-16 EP disclosed
WO-1996005186-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-22 WO disclosed