SCHEMBL16333232

SCHEMBL16333232

Cc1cc2c(SCC(=O)O)ncnc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 1.00
CSNK2A2 P19784 4/20 1.00
CSNK2B P67870 4/20 1.00
CSNK2A1 P68400 4/20 1.00
PLK1 P53350 1/20 0.74
HTT P42858 1/20 0.71
KDM4E B2RXH2 1/20 0.64
CTDSP1 Q9GZU7 2/20 0.60
STK17B O94768 2/20 0.58
HIPK4 Q8NE63 1/20 0.58
STK17A Q9UEE5 1/20 0.58
RXFP1 Q9HBX9 1/20 0.55
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL11982072 0.87 CSNK2A2 (0.78) NOTUMCSNK2A2CSNK2BCSNK2A1PLK1
SCHEMBL11962151 0.85 PLK1 (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1PLK1
SCHEMBL29370624 0.75 CSNK2A2 (0.59) NOTUMCSNK2A2CSNK2BCSNK2A1PLK1
SCHEMBL439342 0.74 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL24096064 0.74 POLB (0.68) NOTUMCSNK2A2CSNK2BCSNK2A1HTT
SCHEMBL16333208 0.72 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1HTT
SCHEMBL438058 0.72 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL439241 0.72 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL16333151 0.72 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL16333140 0.71 NPSR1 (0.67) NOTUMCSNK2A2CSNK2BCSNK2A1HTT

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-2616471-B1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2014-12-31 EP disclosed