SCHEMBL8808802

SCHEMBL8808802

COc1ccc(Cn2ccc3c(C=C4NC(=O)SC4=O)cccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.51
CLK1 P49759 1/20 0.51
CSNK2B P67870 1/20 0.51
CSNK2A1 P68400 1/20 0.51
DYRK1A Q13627 1/20 0.51
DYRK2 Q92630 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
PARP1 P09874 7/20 0.46
P2RX4 Q99571 1/20 0.41
MAPT P10636 4/20 0.40
TP53 P04637 2/20 0.40
CHRM1 P11229 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
PIM1 P11309 1/20 0.39
AKR1B1 P15121 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8810078 0.91 CSNK2A2 (0.45) CSNK2A2CLK1CSNK2BCSNK2A1DYRK1A
SCHEMBL8809369 0.90 SLC2A1 (0.46) CSNK2A2CLK1CSNK2BCSNK2A1DYRK1A
SCHEMBL8811097 0.89 PARP1 (0.58) CSNK2A2CLK1CSNK2BCSNK2A1DYRK1A
SCHEMBL8808793 0.88 PARP1 (0.60) PARP1HPGDPIM1AKR1B1PIM2
SCHEMBL8691075 0.88 PARP1 (0.60) PARP1HPGDPIM1AKR1B1PIM2
SCHEMBL8813934 0.88 PARP1 (0.48) PARP1MAPTALDH1A1
SCHEMBL8812081 0.87 PARP1 (0.46) PARP1LMNAPIM1NPC1RAB9A
SCHEMBL8810812 0.87 PARP1 (0.42) CSNK2A2CLK1CSNK2BCSNK2A1DYRK1A
SCHEMBL8685967 0.87 PARP1 (0.50) PARP1MAPTLMNAHPGDALDH1A1
SCHEMBL8811687 0.87 PARP1 (0.58) PARP1MAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed