SCHEMBL6690246

SCHEMBL6690246

COC(=O)c1nc(-c2cccc(O)c2)n(C)c(=O)c1OC(=O)c1ccccc1.Cn1c(-c2cccc(O)c2)nc(C(=O)O)c(O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.42
FEN1 P39748 2/20 0.42
ERCC4 Q92889 2/20 0.42
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
GAA P10253 2/20 0.36
COMT P21964 1/20 0.35
CASR P41180 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
EGFR P00533 1/20 0.34

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
SCHEMBL4026191 0.94 ADORA2A (0.40) ERCC1FEN1ERCC4ADORA2AADORA2B
SCHEMBL6690248 0.93 ADORA2A (0.40) ERCC1FEN1ERCC4ADORA2AADORA2B
SCHEMBL4030768 0.83 ERCC1 (0.57) ERCC1FEN1ERCC4ADORA2BGAA
SCHEMBL13824026 0.79 ADORA2A (0.45) ADORA2AADORA2BGAAKDM4EALDH1A1
SCHEMBL22078872 0.78 ERCC1 (0.56) ERCC1FEN1ERCC4ADORA2AADORA2B
SCHEMBL4028967 0.78 SMPD1 (0.46) COMTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL13823925 0.75 NPC1 (0.42) GAAKDM4EALDH1A1GABRG2GABRB3
SCHEMBL22078880 0.73 ELANE (0.43) ERCC1FEN1ERCC4ADORA2AADORA2B
SCHEMBL31365367 0.73 ELANE (0.43) ERCC1FEN1ERCC4ADORA2AADORA2B
SCHEMBL4026627 0.73 ERCC1 (0.56) ERCC1FEN1ERCC4GAAKDM4E

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