SCHEMBL16333296

SCHEMBL16333296

COC(=O)CSc1ncnc2c1sc1ncccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 7/20 0.53
ALDH1A1 P00352 4/20 0.53
RAB9A P51151 1/20 0.53
NOTUM Q6P988 3/20 0.49
CLK1 P49759 4/20 0.48
CDC7 O00311 1/20 0.48
LIMK1 P53667 1/20 0.48
DBF4 Q9UBU7 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
PPARG P37231 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MCL1 Q07820 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 2/20 0.47

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
SCHEMBL16333530 0.86 NOTUM (0.57) RXFP1RAB9ANOTUMCLK1CDC7
SCHEMBL439326 0.74 NOTUM (0.57) RXFP1ALDH1A1RAB9ANOTUML3MBTL1
SCHEMBL16333341 0.74 NOTUM (0.75) RXFP1ALDH1A1RAB9ANOTUML3MBTL1
SCHEMBL440686 0.73 NOTUM (0.56) RXFP1ALDH1A1RAB9ANOTUML3MBTL1
SCHEMBL469123 0.73 NOTUM (0.53) RXFP1ALDH1A1RAB9ANOTUML3MBTL1
SCHEMBL441076 0.71 NOTUM (0.54) RXFP1ALDH1A1RAB9ANOTUML3MBTL1
SCHEMBL469141 0.71 NOTUM (0.54) RXFP1ALDH1A1RAB9ANOTUML3MBTL1
SCHEMBL438085 0.70 NOTUM (0.77) RXFP1ALDH1A1RAB9ANOTUMHPGD
SCHEMBL3238599 0.70 ALDH1A1 (0.58) RXFP1ALDH1A1NOTUML3MBTL1NPSR1
SCHEMBL16333308 0.70 NOTUM (0.76) RXFP1ALDH1A1RAB9ANOTUMHPGD

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