SCHEMBL13989010

SCHEMBL13989010

O=CCn1c(=O)oc(=O)c2sccc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
FEN1 P39748 8/20 0.35
ERCC5 P28715 4/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.34
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ELANE P08246 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIA1 P42261 1/20 0.32
ALPG P10696 1/20 0.32
MCL1 Q07820 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1522723 0.79 KMT2A (0.56) KMT2AFEN1ERCC5
SCHEMBL1523552 0.78 FEN1 (0.33) KMT2AFEN1ERCC5GAATSHR
SCHEMBL4716880 0.77 FEN1 (0.41) FEN1ERCC5GRIK1GRIA1
SCHEMBL2344052 0.76 FEN1 (0.47) FEN1ERCC5MAPT
SCHEMBL1522285 0.76 ALDH1A1 (0.39) KMT2AFEN1GAAMAPTELANE
SCHEMBL1522918 0.75 LMNA (0.39) KMT2AFEN1GAAMAPTELANE
SCHEMBL1523122 0.75 KMT2A (0.36) KMT2AFEN1ERCC5GAAMAPT
SCHEMBL1522571 0.75 ALDH1A1 (0.41) KMT2AGAAUSP2HPGDTSHR
SCHEMBL1522863 0.74 FEN1 (0.54) KMT2AFEN1ERCC5
SCHEMBL1522821 0.73 ALDH1A1 (0.36) KMT2AFEN1GAAELANE

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
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 US disclosed