SCHEMBL6973632

SCHEMBL6973632

CC(C)Oc1ccc(C=CC=C2NC(=O)SC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.49
CLK1 P49759 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
DYRK1A Q13627 1/20 0.49
DYRK2 Q92630 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A3 P47895 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
HPGD P15428 2/20 0.39
PIM1 P11309 3/20 0.38
PIM2 Q9P1W9 2/20 0.38
RAB9A P51151 2/20 0.38
AKR1B1 P15121 1/20 0.38

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
SCHEMBL6973629 0.84 PIM1 (0.50) MAPTMEN1KMT2AALDH1A3SIRT2
SCHEMBL8335512 0.80 PDE4B (0.46) CSNK2A2CLK1CSNK2BCSNK2A1DYRK1A
SCHEMBL2546776 0.73 PIM1 (0.69) SIRT2HPGDPIM1PIM2RAB9A
SCHEMBL5634506 0.71 ALDH1A3 (0.66) MAPTKMT2AALDH1A1MAPK1LMNA
SCHEMBL5634504 0.71 ALDH1A3 (0.66) MAPTKMT2AALDH1A1MAPK1LMNA
SCHEMBL20024678 0.70 ALDH1A3 (0.68) KMT2AMAPK1LMNAALDH1A3SIRT2
SCHEMBL6969022 0.68 ALDH1A3 (0.61) MAPTKMT2AALDH1A1MAPK1LMNA
SCHEMBL6969015 0.68 ALDH1A3 (0.61) MAPTKMT2AALDH1A1MAPK1LMNA
SCHEMBL13846586 0.68 PIM1 (0.70) CSNK2A2CLK1CSNK2BCSNK2A1DYRK1A
SCHEMBL4089543 0.68 PIM1 (0.70) CSNK2A2CLK1CSNK2BCSNK2A1DYRK1A

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 4 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
WO-1997000249-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-03 WO disclosed