SCHEMBL16333353

SCHEMBL16333353

Cc1c(C2CC2)sc2ncnc(SCC(=O)O)c12

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 15/20 0.74
CSNK2A2 P19784 3/20 0.69
CSNK2B P67870 3/20 0.69
CSNK2A1 P68400 3/20 0.69
KDM4E B2RXH2 2/20 0.56
HPGD P15428 2/20 0.56
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PRNP P04156 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
SCHEMBL16333408 0.87 NOTUM (0.71) NOTUMCSNK2A2CSNK2BCSNK2A1KDM4E
SCHEMBL16333144 0.83 NOTUM (0.69) NOTUMCSNK2A2CSNK2BCSNK2A1KDM4E
SCHEMBL439342 0.82 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1HPGD
SCHEMBL16333303 0.81 NOTUM (0.74) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL16333151 0.80 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL439241 0.80 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL16333100 0.79 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1KDM4E
SCHEMBL16333728 0.78 NOTUM (0.76) NOTUMCSNK2A2CSNK2BCSNK2A1KDM4E
SCHEMBL438058 0.74 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL16333208 0.74 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1KDM4E

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