SCHEMBL16333530

SCHEMBL16333530

O=C(O)CSc1ncnc2c1sc1ncccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.57
CLK1 P49759 2/20 0.52
CDC7 O00311 1/20 0.52
LIMK1 P53667 1/20 0.52
DBF4 Q9UBU7 1/20 0.52
CSNK2A2 P19784 2/20 0.52
CSNK2B P67870 2/20 0.52
CSNK2A1 P68400 2/20 0.52
KDM4E B2RXH2 1/20 0.52
RXFP1 Q9HBX9 2/20 0.52
MAPT P10636 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
STK17B O94768 2/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TLR5 O60602 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL16333296 0.86 RXFP1 (0.53) NOTUMCLK1CDC7LIMK1DBF4
SCHEMBL16333194 0.73 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1HTT
SCHEMBL9042411 0.72 CLK1 (0.67) CLK1CDC7LIMK1DBF4KDM4E
SCHEMBL30093319 0.72 CLK1 (0.67) CLK1CDC7LIMK1DBF4KDM4E
SCHEMBL441182 0.70 NOTUM (0.78) NOTUMCSNK2A2CSNK2BCSNK2A1STK17B
SCHEMBL16333597 0.70 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1STK17B
SCHEMBL441103 0.70 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1STK17B
SCHEMBL439318 0.70 NOTUM (0.78) NOTUMCSNK2A2CSNK2BCSNK2A1STK17B
SCHEMBL16333464 0.70 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1STK17B
SCHEMBL16333256 0.70 NOTUM (0.60) NOTUMCDC7LIMK1DBF4CSNK2A2

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