SCHEMBL6695036

SCHEMBL6695036

COC(=O)c1nc(-c2cccs2)n(C(Cc2ccccc2Cl)c2ccccc2Cl)c(=O)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.43
FEN1 P39748 2/20 0.43
ERCC4 Q92889 2/20 0.43
MAPT P10636 6/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 4/20 0.34
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
MCTS1 Q9ULC4 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
OPRM1 P35372 1/20 0.34
MAPK1 P28482 1/20 0.34
RNASEH1 O60930 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 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
SCHEMBL4027668 0.79 ERCC1 (0.47) ERCC1FEN1ERCC4MAPTTP53
SCHEMBL4028449 0.68 FEN1 (0.59) ERCC1FEN1ERCC4MAPTTP53
SCHEMBL4026627 0.61 ERCC1 (0.56) ERCC1FEN1ERCC4MAPTTP53
SCHEMBL3833902 0.61 ERCC1 (0.60) ERCC1FEN1ERCC4MAPTTP53
SCHEMBL6656091 0.61 ERCC1 (1.00) ERCC1FEN1ERCC4
SCHEMBL4028669 0.61 FEN1 (0.65) ERCC1FEN1ERCC4MAPTTP53
SCHEMBL4032042 0.60 ERCC1 (1.00) ERCC1FEN1ERCC4HPGDALDH1A1
SCHEMBL4025290 0.60 ERCC1 (0.71) ERCC1FEN1ERCC4MAPTHPGD
SCHEMBL22078872 0.60 ERCC1 (0.56) ERCC1FEN1ERCC4MAPTTP53
SCHEMBL11855170 0.59 ALDH1A1 (0.48) MAPTALDH1A1LMNAKMT2AMEN1

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-1470113-A1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2004-10-27 EP disclosed
WO-2003062211-A1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-07-31 WO disclosed