SCHEMBL16333328

SCHEMBL16333328

COC(=O)CSc1ncnc2sc(C)c(C)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 1.00
CSNK2A2 P19784 2/20 0.74
CSNK2B P67870 2/20 0.74
CSNK2A1 P68400 2/20 0.74
HPGD P15428 4/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
KDM4E B2RXH2 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
RXFP1 Q9HBX9 2/20 0.62
POLB P06746 1/20 0.62
ALDH1A1 P00352 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
LMNA P02545 1/20 0.61
TSHR P16473 1/20 0.61
HTT P42858 1/20 0.61
RAB9A P51151 1/20 0.61
NPSR1 Q6W5P4 1/20 0.60

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
SCHEMBL440651 0.87 NOTUM (0.77) NOTUMCSNK2A2CSNK2BCSNK2A1HPGD
SCHEMBL438065 0.87 NOTUM (0.77) NOTUMCSNK2A2CSNK2BCSNK2A1HPGD
SCHEMBL438060 0.87 NOTUM (0.77) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL441046 0.86 NOTUM (0.76) NOTUMCSNK2A2CSNK2BCSNK2A1HPGD
SCHEMBL439137 0.86 NOTUM (0.76) NOTUMCSNK2A2CSNK2BCSNK2A1HPGD
SCHEMBL16333212 0.85 NOTUM (0.74) NOTUMCSNK2A2CSNK2BCSNK2A1HPGD
SCHEMBL439342 0.85 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1HPGD
SCHEMBL16339247 0.84 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1HPGD
SCHEMBL16339840 0.84 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1HPGD
SCHEMBL16339818 0.84 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1HPGD

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