SCHEMBL4031769

SCHEMBL4031769

Cn1c(-c2sccc2[N+](=O)[O-])nc(OC(=O)O)c(O)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.38
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38
LMNA P02545 2/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 4/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
MAPT P10636 2/20 0.31
ESR2 Q92731 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CTSB P07858 1/20 0.30
CTSH P09668 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 2/20 0.30
HTT P42858 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL4027437 0.83 FEN1 (0.57) FEN1ERCC1ERCC4LMNAMAPT
SCHEMBL4027681 0.82 ERCC1 (0.41) FEN1ERCC1ERCC4POLBALDH1A1
SCHEMBL4029257 0.82 FEN1 (0.44) FEN1ERCC1ERCC4POLBALDH1A1
SCHEMBL4028581 0.81 ERCC1 (0.44) FEN1ERCC1ERCC4LMNAALDH1A1
SCHEMBL4031571 0.80 ERCC1 (0.40) FEN1ERCC1ERCC4ALDH1A1MAPT
SCHEMBL4028019 0.79 FEN1 (0.39) FEN1ERCC1ERCC4
SCHEMBL4028795 0.76 ERCC1 (0.39) FEN1ERCC1ERCC4LMNAPOLB
SCHEMBL4026147 0.76 FEN1 (0.39) FEN1ERCC1ERCC4LMNAALDH1A1
SCHEMBL4028118 0.75 ERCC1 (0.40) FEN1ERCC1ERCC4ALDH1A1RXFP1
SCHEMBL4032043 0.75 ERCC1 (0.67) FEN1ERCC1ERCC4LMNAPOLB

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