SCHEMBL4028795

SCHEMBL4028795

Cn1c(-c2sccc2/C=C/c2ccccc2)nc(OC(=O)O)c(O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.39
FEN1 P39748 1/20 0.39
ERCC4 Q92889 1/20 0.39
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
P2RX3 P56373 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL4034573 0.84 ERCC1 (0.57) ERCC1FEN1ERCC4NPC1RAB9A
SCHEMBL4028792 0.84 ERCC1 (0.57) ERCC1FEN1ERCC4NPC1RAB9A
SCHEMBL4028040 0.83 ERCC1 (0.45) ERCC1FEN1ERCC4NPC1RAB9A
SCHEMBL4028038 0.83 ERCC1 (0.45) ERCC1FEN1ERCC4NPC1RAB9A
SCHEMBL4034538 0.82 ERCC1 (0.35) ERCC1FEN1ERCC4MAPTLMNA
SCHEMBL4034683 0.80 NPC1 (0.36) ERCC1FEN1ERCC4NPC1RAB9A
SCHEMBL4027681 0.79 ERCC1 (0.41) ERCC1FEN1ERCC4NPC1RAB9A
SCHEMBL4026147 0.78 FEN1 (0.39) ERCC1FEN1ERCC4LMNASMN1; SMN2
SCHEMBL4028019 0.77 FEN1 (0.39) ERCC1FEN1ERCC4MAPK1
SCHEMBL4031565 0.76 CXCR2 (0.39) ERCC1FEN1ERCC4NPC1RAB9A

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