SCHEMBL4032043

SCHEMBL4032043

Cn1c(-c2cccs2)nc(OC(=O)O)c(O)c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 3/20 0.67
FEN1 P39748 3/20 0.67
ERCC4 Q92889 3/20 0.67
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 4/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 5/20 0.42
MEN1 O00255 1/20 0.42
PLA2G1B P04054 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MIF P14174 1/20 0.40
MAPK1 P28482 1/20 0.39
HTT P42858 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
SCHEMBL4025292 0.84 ERCC1 (0.48) ERCC1FEN1ERCC4KDM4EALDH1A1
SCHEMBL4032042 0.81 ERCC1 (1.00) ERCC1FEN1ERCC4KDM4EALDH1A1
SCHEMBL4028670 0.80 ALDH1A1 (0.50) ERCC1FEN1ERCC4KDM4EALDH1A1
SCHEMBL4033752 0.79 ERCC1 (0.43) ERCC1FEN1ERCC4KDM4EALDH1A1
SCHEMBL4029257 0.78 FEN1 (0.44) ERCC1FEN1ERCC4KDM4EALDH1A1
SCHEMBL4027681 0.78 ERCC1 (0.41) ERCC1FEN1ERCC4ALDH1A1NPC1
SCHEMBL4027881 0.78 ERCC1 (0.40) ERCC1FEN1ERCC4KDM4EALDH1A1
SCHEMBL4028118 0.78 ERCC1 (0.40) ERCC1FEN1ERCC4KDM4EALDH1A1
SCHEMBL4029729 0.77 MAPT (0.47) ERCC1FEN1ERCC4KDM4EALDH1A1
SCHEMBL4031571 0.76 ERCC1 (0.40) ERCC1FEN1ERCC4ALDH1A1HPGD

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