SCHEMBL6973629

SCHEMBL6973629

CC(C)Oc1ccc(C=CC=C2SC(=O)NC2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.50
HPGD P15428 7/20 0.50
PIM2 Q9P1W9 6/20 0.50
AKR1B1 P15121 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A3 P47895 1/20 0.44

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
SCHEMBL4089543 0.85 PIM1 (0.70) PIM1HPGDPIM2AKR1B1NPC1
SCHEMBL13846586 0.85 PIM1 (0.70) PIM1HPGDPIM2AKR1B1NPC1
SCHEMBL2546776 0.84 PIM1 (0.69) PIM1HPGDPIM2AKR1B1NPC1
SCHEMBL6973632 0.84 CSNK2A2 (0.49) PIM1HPGDPIM2AKR1B1NPC1
SCHEMBL8187521 0.82 PIM1 (0.70) PIM1HPGDPIM2AKR1B1NPC1
SCHEMBL8181336 0.81 PIM1 (0.53) PIM1HPGDPIM2AKR1B1NPC1
SCHEMBL6972871 0.80 PDE4B (0.58) PIM1HPGDPIM2MEN1MAPT
SCHEMBL6972866 0.80 PDE4B (0.58) PIM1HPGDPIM2MEN1MAPT
SCHEMBL14381413 0.80 PIM1 (0.55) PIM1HPGDPIM2AKR1B1NPC1
SCHEMBL13846678 0.78 PIM1 (0.67) PIM1HPGDPIM2AKR1B1RAB9A

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