SCHEMBL8760223

SCHEMBL8760223

CCc1c(Sc2cc(C)cc(C)c2)n(COCCO)c(=S)[nH]c1=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
PNP P00491 2/20 0.32
GAA P10253 1/20 0.31
UPP1 Q16831 1/20 0.31
MAPT P10636 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
SCHEMBL8760930 0.89 UPP1 (0.38) HTTUPP1
SCHEMBL8760861 0.88 GAA (0.32) HTTPNPGAAUPP1
SCHEMBL8760255 0.86 UPP1 (0.40) PNPUPP1
SCHEMBL8760191 0.84 PNP (0.33) HTTPNP
SCHEMBL9016439 0.79 HTT (0.33) HTTPNPGAAUPP1MAPT
SCHEMBL8760134 0.77 UPP1 (0.38) PNPUPP1
SCHEMBL8760090 0.75 UPP1 (0.49) UPP1
SCHEMBL2036799 0.75 UPP1 (0.39) HTTPNPGAAUPP1MAPT
SCHEMBL7213426 0.74 SIRT2 (0.40) GAAMAPT
SCHEMBL8760050 0.73 UPP1 (0.35) HTTPNPUPP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449726-B1 Pyrimidine nucleoside derivative and antiviral agent containing the derivative as active ingredient MITSUBISHI CHEM CORP (JP) 1997-06-11 EP claimed
EP-0449726-B1 Pyrimidine nucleoside derivative and antiviral agent containing the derivative as active ingredient MITSUBISHI CHEM CORP (JP) 1997-06-11 EP disclosed
US-5318972-A Active against retroviruses, human t-cell leukemia/lymphoma viruses MITSUBISHI KASEI CORPORATION (JP) 1994-06-07 US disclosed
EP-0449726-A1 Pyrimidine nucleoside derivative and antiviral agent containing the derivative as active ingredient Mitsubishi Chemical Corporation (JP) 1991-10-02 EP disclosed