SCHEMBL16339474

SCHEMBL16339474

Cc1cc(NC(=O)CSc2ncnc3sc(C)c(C)c23)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 1.00
RXFP1 Q9HBX9 1/20 1.00
TSHR P16473 2/20 0.70
NOTUM Q6P988 5/20 0.67
KMT2A Q03164 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
ALDH1A1 P00352 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
MEN1 O00255 2/20 0.65
USP2 O75604 1/20 0.63
PKM P14618 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.61
CSNK2A2 P19784 1/20 0.61
CSNK2B P67870 1/20 0.61
CSNK2A1 P68400 1/20 0.61
KDM4E B2RXH2 2/20 0.61
HPGD P15428 2/20 0.61

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
SCHEMBL16339247 0.81 NOTUM (1.00) NPSR1RXFP1NOTUMKMT2ASMN1; SMN2
SCHEMBL16339840 0.81 NOTUM (1.00) NPSR1RXFP1NOTUMKMT2ASMN1; SMN2
SCHEMBL16333306 0.77 NOTUM (1.00) NPSR1RXFP1NOTUMKMT2ASMN1; SMN2
SCHEMBL439342 0.76 NOTUM (1.00) NOTUMALDH1A1CSNK2A2CSNK2BCSNK2A1
SCHEMBL16339371 0.76 L3MBTL1 (0.66) NPSR1RXFP1NOTUMKMT2ASMN1; SMN2
SCHEMBL16333328 0.76 NOTUM (1.00) NPSR1RXFP1TSHRNOTUMKMT2A
SCHEMBL16339846 0.76 NOTUM (0.81) NPSR1RXFP1NOTUMKMT2ASMN1; SMN2
SCHEMBL16339818 0.75 NOTUM (1.00) TSHRNOTUMKMT2ASMN1; SMN2ALDH1A1
SCHEMBL452479 0.74 NOTUM (0.69) NPSR1RXFP1NOTUMKMT2ASMN1; SMN2
SCHEMBL16338969 0.74 NOTUM (0.69) NPSR1RXFP1NOTUMKMT2ASMN1; 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