SCHEMBL4033473

SCHEMBL4033473

COC(=O)c1nc(-c2sccc2[N+](=O)[O-])[nH]c(=O)c1O

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 8/20 0.60
FEN1 P39748 8/20 0.60
ERCC4 Q92889 8/20 0.60
RNASEH1 O60930 1/20 0.44
DNASE1 P24855 2/20 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
Hydrochloric Acid SCHEMBL6666184 0.81 ERCC1 (0.62) ERCC1FEN1ERCC4RNASEH1DNASE1
SCHEMBL6621889 0.81 ERCC1 (0.62) ERCC1FEN1ERCC4RNASEH1DNASE1
SCHEMBL6620564 0.81 ERCC1 (0.61) ERCC1FEN1ERCC4RNASEH1DNASE1
SCHEMBL13646996 0.78 ALDH1A1 (0.40) ERCC1FEN1ERCC4
SCHEMBL4028581 0.76 ERCC1 (0.44) ERCC1FEN1ERCC4RNASEH1
SCHEMBL6666990 0.75 ERCC1 (0.66) ERCC1FEN1ERCC4RNASEH1DNASE1
SCHEMBL6656091 0.75 ERCC1 (1.00) ERCC1FEN1ERCC4DNASE1
SCHEMBL6620626 0.72 ERCC1 (0.68) ERCC1FEN1ERCC4RNASEH1DNASE1
SCHEMBL6620304 0.72 ERCC1 (0.53) ERCC1FEN1ERCC4RNASEH1DNASE1
SCHEMBL13218191 0.69 ERCC1 (0.76) ERCC1FEN1ERCC4RNASEH1

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 3 patents. 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 disclosed
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