SCHEMBL4050762

SCHEMBL4050762

COc1ccc(COc2ccc(/C=C3\SC(=S)NC3=O)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.82
CSNK2A2 P19784 1/20 0.79
CLK1 P49759 1/20 0.79
CSNK2B P67870 1/20 0.79
CSNK2A1 P68400 1/20 0.79
DYRK1A Q13627 1/20 0.79
DYRK1B Q9Y463 1/20 0.79
MMP3 P08254 1/20 0.78
MMP13 P45452 1/20 0.78
ADAMTS5 Q9UNA0 2/20 0.77
CTSD P07339 4/20 0.70
PTGS2 P35354 1/20 0.68
MEN1 O00255 1/20 0.67
POLB P06746 1/20 0.67
BLM P54132 1/20 0.67
KMT2A Q03164 1/20 0.67
NOD2 Q9HC29 1/20 0.67
CISD1 Q9NZ45 1/20 0.64
PTPN1 P18031 2/20 0.63
NPC1 O15118 1/20 0.63

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
SCHEMBL4050763 1.00 HPGD (0.82) HPGDCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL7967991 0.91 MMP13 (0.71) HPGDCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL7967989 0.91 MMP13 (0.71) HPGDCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL4056382 0.91 HPGD (0.82) HPGDCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL4051343 0.91 NPC1 (0.79) HPGDCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL4056380 0.91 HPGD (0.82) HPGDCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL4051348 0.91 NPC1 (0.79) HPGDCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL1300545 0.90 HPGD (1.00) HPGDMMP3MMP13ADAMTS5PTGS2
SCHEMBL1300546 0.90 HPGD (1.00) HPGDMMP3MMP13ADAMTS5PTGS2
SCHEMBL8312402 0.89 CSNK2A2 (1.00) CSNK2A2CLK1CSNK2BCSNK2A1DYRK1A

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
WO-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed