SCHEMBL4028019

SCHEMBL4028019

CC(=O)Nc1ccsc1-c1nc(OC(=O)O)c(O)c(=O)n1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 6/20 0.39
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK8 P45983 2/20 0.34
MAPK10 P53779 2/20 0.34
ERCC5 P28715 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BRPF1 P55201 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
SCHEMBL4031565 0.88 CXCR2 (0.39) FEN1ERCC1ERCC4CDK2MAPK8
SCHEMBL4026226 0.88 MAOB (0.38) FEN1ERCC1ERCC4MAPK8MAPK10
SCHEMBL4031044 0.84 NTRK1 (0.41) FEN1ERCC1ERCC4HSD17B10
SCHEMBL4027166 0.84 MEN1 (0.37) FEN1ERCC1ERCC4MAPK8MAPK10
SCHEMBL4028016 0.83 FEN1 (0.58) FEN1ERCC1ERCC4CCNE2CCNE1
SCHEMBL4029257 0.83 FEN1 (0.44) FEN1ERCC1ERCC4MAPK1
SCHEMBL4027681 0.83 ERCC1 (0.41) FEN1ERCC1ERCC4MAPK10
SCHEMBL4028369 0.82 MEN1 (0.43) FEN1ERCC1ERCC4MAPK8MAPK10
SCHEMBL4031571 0.81 ERCC1 (0.40) FEN1ERCC1ERCC4
SCHEMBL4027676 0.81 MAPK8 (0.40) MAPK8MAPK10ALOX15HSD17B10

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-1470113-B1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-01-07 EP claimed