SCHEMBL6619853

SCHEMBL6619853

COC(=O)c1nc(-c2ccco2)[nH]c(=O)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 3/20 0.64
FEN1 P39748 3/20 0.64
ERCC4 Q92889 3/20 0.64
RNASEH1 O60930 2/20 0.51
TMIGD3 P0DMS9 1/20 0.46
ADORA1 P30542 1/20 0.46
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
CFTR P13569 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL15592592 0.74 ERCC1 (0.68) ERCC1FEN1ERCC4RNASEH1KDM4E
SCHEMBL6656091 0.74 ERCC1 (1.00) ERCC1FEN1ERCC4
SCHEMBL13218191 0.74 ERCC1 (0.76) ERCC1FEN1ERCC4RNASEH1
SCHEMBL6884737 0.72 UBE2I (0.43) ERCC1FEN1ERCC4TMIGD3ADORA1
SCHEMBL6620626 0.72 ERCC1 (0.68) ERCC1FEN1ERCC4RNASEH1KDM4E
SCHEMBL6884865 0.71 ALDH1A1 (0.39) ERCC1FEN1ERCC4TMIGD3ADORA1
SCHEMBL4157370 0.71 AXL (0.46) HSP90AA1HSP90AB1CFTRKDM4EALDH1A1
SCHEMBL6875960 0.70 RNASEH1 (0.44) ERCC1FEN1ERCC4RNASEH1TMIGD3
SCHEMBL11496775 0.70 ALOX5 (0.43) TMIGD3ADORA1KDM4EALDH1A1RAB9A
SCHEMBL12697348 0.70 ERCC1 (0.57) ERCC1FEN1ERCC4RNASEH1KDM4E

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