SCHEMBL4028369

SCHEMBL4028369

Cn1c(-c2sccc2NC(=O)OCc2ccccc2Cl)nc(OC(=O)O)c(O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
CASP3 P42574 1/20 0.43
KMT2A Q03164 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
SCN9A Q15858 2/20 0.39
SCN5A Q14524 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
MAPK8 P45983 2/20 0.37
MAPK10 P53779 2/20 0.37
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 3/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL4028367 0.89 ERCC1 (0.47) MEN1PKMCASP3KMT2ASENP8
SCHEMBL4027676 0.88 MAPK8 (0.40) MAPK8MAPK10L3MBTL1CYP2C9HPGD
SCHEMBL4026226 0.83 MAOB (0.38) MAPK8MAPK10HTTL3MBTL1SMN1; SMN2
SCHEMBL4028019 0.82 FEN1 (0.39) MAPK8MAPK10ERCC1FEN1ERCC4
SCHEMBL4031565 0.81 CXCR2 (0.39) MEN1PKMKMT2AMAPK8MAPK10
SCHEMBL4028505 0.81 ALDH1A1 (0.38) MAPK8MAPK10HTTL3MBTL1NPSR1
SCHEMBL4031788 0.80 MEN1 (0.41) MEN1PKMCASP3KMT2ASENP8
SCHEMBL4026812 0.79 ERCC1 (0.33) MEN1KMT2ACYP2C19CYP2D6HPGD
SCHEMBL4031044 0.78 NTRK1 (0.41) HTTMAPTALDH1A1ERCC1FEN1
SCHEMBL4027166 0.78 MEN1 (0.37) MEN1KMT2AMAPK8MAPK10HTT

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