SCHEMBL4034538

SCHEMBL4034538

Cn1c(-c2sccc2NC/C=C/c2ccccc2)nc(OC(=O)O)c(O)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.35
FEN1 P39748 1/20 0.35
ERCC4 Q92889 1/20 0.35
HSD17B10 Q99714 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
MAPK1 P28482 1/20 0.32
DHFR P00374 1/20 0.32
HTT P42858 1/20 0.32
MAPK8 P45983 1/20 0.31
MAPK10 P53779 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL4024930 0.86 ERCC1 (0.50) ERCC1FEN1ERCC4HSD17B10HDAC1
SCHEMBL4024935 0.86 ERCC1 (0.50) ERCC1FEN1ERCC4HSD17B10HDAC1
SCHEMBL4028795 0.82 ERCC1 (0.39) ERCC1FEN1ERCC4MAPK1L3MBTL1
SCHEMBL4028019 0.80 FEN1 (0.39) ERCC1FEN1ERCC4HSD17B10MAPK1
SCHEMBL4026962 0.78 F2 (0.39) KDM4E
SCHEMBL4027808 0.77 DHFR (0.31) DHFR
SCHEMBL4027815 0.77 DHFR (0.31) DHFR
SCHEMBL4031044 0.76 NTRK1 (0.41) ERCC1FEN1ERCC4HSD17B10HTT
SCHEMBL4027166 0.76 MEN1 (0.37) ERCC1FEN1ERCC4HTTMAPK8
SCHEMBL4028369 0.76 MEN1 (0.43) ERCC1FEN1ERCC4HTTMAPK8

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