SCHEMBL8203885

SCHEMBL8203885

Cc1cccc(CCOc2ccc(C=C3NC(=O)SC3=O)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 13/20 0.54
CSNK2A2 P19784 1/20 0.52
CLK1 P49759 1/20 0.52
CSNK2B P67870 1/20 0.52
CSNK2A1 P68400 1/20 0.52
DYRK1A Q13627 1/20 0.52
DYRK2 Q92630 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
PIM1 P11309 2/20 0.46
PIM2 Q9P1W9 2/20 0.46
CISD1 Q9NZ45 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4762772 0.89 HPGD (0.54) HPGDCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL8203880 0.88 HPGD (0.71) HPGDPIM1PIM2CISD1HDAC4
SCHEMBL8203877 0.88 HPGD (0.71) HPGDPIM1PIM2CISD1HDAC4
SCHEMBL9311529 0.82 HPGD (0.53) HPGDCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL9433166 0.78 HPGD (0.75) HPGDCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL2002768 0.77 HPGD (0.59) HPGDCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL9326985 0.77 CSNK2A2 (0.62) HPGDCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL8196269 0.77 SMN1; SMN2 (0.48) HPGDHDAC8MEN1ALDH1A1LMNA
SCHEMBL9312031 0.77 HPGD (0.48) HPGDCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL4762769 0.77 HPGD (0.71) HPGDPIM1PIM2CISD1POLB

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
US-RE36575-E Pyridine and thiazolidinedione derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-15 US disclosed
EP-0257781-B1 A METHOD FOR PRODUCING THIAZOLIDINEDIONE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 1991-09-18 EP disclosed
US-4898947-A Pyridine and thiazolidinedione derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-02-06 US disclosed
US-4812570-A Method for producing thiazolidinedione derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-03-14 US disclosed
EP-0257781-A1 A method for producing thiazolidinedione derivatives Takeda Chemical Industries, Ltd. (JP) 1988-03-02 EP disclosed