SCHEMBL4026962

SCHEMBL4026962

Cn1c(-c2sccc2NS(=O)(=O)Cc2ccccc2)nc(OC(=O)O)c(O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.39
PRSS1 P07477 5/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 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
SCHEMBL4026959 0.86 ERCC1 (0.51) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL4028226 0.83 MAPK10 (0.42) ALDH1A1HPGD
SCHEMBL4028019 0.80 FEN1 (0.39)
SCHEMBL4031565 0.79 CXCR2 (0.39) ALDH1A1
SCHEMBL4024448 0.79 F2 (0.39) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL4026147 0.79 FEN1 (0.39) KDM4EALDH1A1
SCHEMBL4034538 0.78 ERCC1 (0.35) KDM4E
SCHEMBL4034580 0.77 LTB4R (0.39)
SCHEMBL4026226 0.77 MAOB (0.38) KDM4EALDH1A1
SCHEMBL4031044 0.76 NTRK1 (0.41) 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