SCHEMBL6674168

SCHEMBL6674168

CC(C)n1c(=O)[nH]c(=O)c2ccsc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 5/20 0.41
TNKS2 Q9H2K2 5/20 0.41
PARP10 Q53GL7 4/20 0.41
PARP2 Q9UGN5 3/20 0.41
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
PARP14 Q460N5 1/20 0.37
ERCC1 P07992 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
ERCC4 Q92889 1/20 0.36
HTR4 Q13639 3/20 0.34
KCNH2 Q12809 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PGR P06401 2/20 0.33

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
SCHEMBL20079436 0.79 POLB (0.50) POLBALDH1A1L3MBTL1PGR
SCHEMBL2987031 0.77 PARP15 (0.41) PARP15TNKS2PARP10PARP2TNKS
SCHEMBL6670689 0.76 ALDH1A1 (0.40) PARP15TNKS2PARP10PARP2ALDH1A1
SCHEMBL2204604 0.70 ELANE (0.40) PARP15TNKS2PARP10PARP2POLB
SCHEMBL6636939 0.70 HTR4 (0.39) ALDH1A1ERCC1ERCC5FEN1ERCC4
SCHEMBL6449573 0.70 PARP15 (0.40) PARP15TNKS2PARP10PARP2TNKS
SCHEMBL24519200 0.69 POLB (0.50) PARP15TNKS2PARP10PARP2TNKS
SCHEMBL14227440 0.69 POLB (0.64) PARP15TNKS2TNKSPARP1POLB
SCHEMBL29458522 0.69 POLB (0.64) PARP15TNKS2TNKSPARP1POLB
SCHEMBL8141804 0.69 PARP1 (0.40) PARP15TNKS2PARP10PARP2TNKS

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-1414825-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE AstraZeneca AB (SE) 2004-05-06 EP claimed
WO-2003011868-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2003-02-13 WO claimed
EP-1414825-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003011868-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2003-02-13 WO disclosed