SCHEMBL16333300

SCHEMBL16333300

Cc1sc2ncnc(SCC(=O)NC(CO)CO)c2c1Cl

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 17/20 0.67
KDM4E B2RXH2 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HPGD P15428 2/20 0.54
CSNK2A2 P19784 1/20 0.51
CSNK2B P67870 1/20 0.51
CSNK2A1 P68400 1/20 0.51

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
SCHEMBL16333149 0.90 NOTUM (0.66) NOTUMKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL16332773 0.83 NOTUM (0.72) NOTUMKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL16333112 0.81 NOTUM (0.79) NOTUMKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL16333241 0.81 NOTUM (0.69) NOTUMKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL438058 0.81 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL438060 0.80 NOTUM (0.77) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL16333168 0.80 NOTUM (0.67) NOTUMKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL16333203 0.78 NOTUM (0.65) NOTUMKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL16333332 0.78 NOTUM (1.00) NOTUMCSNK2A2CSNK2BCSNK2A1
SCHEMBL16332999 0.78 NOTUM (0.64) NOTUMKDM4EMEN1KMT2ASMN1; SMN2

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