SCHEMBL27765632

SCHEMBL27765632

O=C(O)c1c(Cl)c2ccsc2[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 7/20 0.51
PARP15 Q460N3 5/20 0.51
PARP1 P09874 2/20 0.51
TNKS O95271 1/20 0.51
PARP2 Q9UGN5 5/20 0.49
PARP10 Q53GL7 4/20 0.49
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
PARP14 Q460N5 1/20 0.42
ERCC1 P07992 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
ERCC4 Q92889 1/20 0.41
DAO P14920 2/20 0.41
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 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
SCHEMBL5113224 0.79 PARP15 (0.48) TNKS2PARP15PARP1TNKSPARP2
SCHEMBL1244218 0.78 TNKS2 (0.43) TNKS2PARP15PARP1TNKSPARP2
SCHEMBL27703596 0.74 PDPK1 (0.46) PARP1ALDH1A1ERCC5FEN1DAO
SCHEMBL5104219 0.71 PARP15 (0.47) TNKS2PARP15PARP1TNKSPARP2
SCHEMBL25369756 0.71 TNKS2 (0.51) TNKS2PARP15PARP1TNKSPARP2
SCHEMBL13997679 0.70 KDM4E (0.72) TNKS2PARP15PARP1TNKSMEN1
SCHEMBL1549073 0.69 TNKS2 (0.67) TNKS2PARP15PARP1TNKSPARP2
SCHEMBL29478203 0.68 TNKS2 (1.00) TNKS2PARP15PARP1TNKSPARP2
SCHEMBL422013 0.68 TNKS2 (1.00) TNKS2PARP15PARP1TNKSPARP2
SCHEMBL4154430 0.67 EGLN1 (0.47) TNKS2PARP15PARP1TNKSPARP2

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
CN-101466681-A Tumor necrosis factor alpha inhibitors and their use in the treatment of human diseases AVANIR PHARMACEUTICALS (US) 2009-06-24 CN disclosed