SCHEMBL4027166

SCHEMBL4027166

Cn1c(-c2sccc2NC(=O)NC(c2ccccc2)c2ccccc2)nc(OC(=O)O)c(O)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPV1 Q8NER1 4/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
LIPG Q9Y5X9 1/20 0.35
ERCC1 P07992 1/20 0.35
FEN1 P39748 1/20 0.35
ERCC4 Q92889 1/20 0.35
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
NR3C1 P04150 3/20 0.31

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
SCHEMBL4031565 0.87 CXCR2 (0.39) MEN1KMT2ALIPGERCC1FEN1
SCHEMBL4027165 0.86 ERCC1 (0.51) MEN1KMT2ATRPV1ROCK2ROCK1
SCHEMBL4031044 0.85 NTRK1 (0.41) ERCC1FEN1ERCC4HTTALDH1A1
SCHEMBL4028019 0.84 FEN1 (0.39) ERCC1FEN1ERCC4MAPK8MAPK10
SCHEMBL4026226 0.81 MAOB (0.38) ERCC1FEN1ERCC4MAPK8MAPK10
SCHEMBL4028505 0.79 ALDH1A1 (0.38) ERCC1FEN1ERCC4MAPK8MAPK10
SCHEMBL4032051 0.79 RAB9A (0.40) ALDH1A1
SCHEMBL4028369 0.78 MEN1 (0.43) MEN1KMT2AERCC1FEN1ERCC4
SCHEMBL4027676 0.77 MAPK8 (0.40) MAPK8MAPK10L3MBTL1ALDH1A1
SCHEMBL4026962 0.76 F2 (0.39) ALDH1A1

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