SCHEMBL6062479

SCHEMBL6062479

CS(=O)(=O)c1ccc(Cn2c(=O)c(C(=O)O)c(O)c3ncc(Cc4ccccc4)cc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 7/20 0.51
ERCC5 P28715 6/20 0.51
EGLN1 Q9GZT9 2/20 0.46
PTGDR2 Q9Y5Y4 4/20 0.42
MAPK8 P45983 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SRC P12931 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39

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
SCHEMBL16999961 0.89 EGLN1 (0.48) FEN1ERCC5EGLN1MEN1KMT2A
SCHEMBL5545344 0.89 KDM4E (0.46) FEN1ERCC5EGLN1PTGDR2
SCHEMBL5545820 0.87 CNR1 (0.49) FEN1ERCC5EGLN1
SCHEMBL5538481 0.87 EGLN1 (0.44) FEN1ERCC5EGLN1PTGDR2MAPK8
SCHEMBL5545819 0.86 CNR2 (0.52) FEN1ERCC5EGLN1
SCHEMBL5546934 0.86 EGLN1 (0.49) FEN1ERCC5EGLN1MEN1KMT2A
SCHEMBL5545229 0.86 LMNA (0.49) EGLN1MEN1KMT2A
SCHEMBL5547058 0.84 KDM4E (0.49) EGLN1MEN1KMT2A
SCHEMBL5538456 0.84 RXFP1 (0.47) EGLN1MEN1KMT2A
SCHEMBL5545321 0.82 MAPT (0.44) FEN1ERCC5PTGDR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO disclosed