SCHEMBL16333151

SCHEMBL16333151

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 19/20 1.00
CSNK2A2 P19784 3/20 0.76
CSNK2B P67870 3/20 0.76
CSNK2A1 P68400 3/20 0.76

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
SCHEMBL439342 0.86 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL438058 0.84 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL439241 0.84 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL16333100 0.83 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL16333728 0.82 NOTUM (0.76) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL16333353 0.80 NOTUM (0.74) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL16339256 0.79 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL441103 0.78 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL16333208 0.78 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL439138 0.78 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1

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