SCHEMBL8760939

SCHEMBL8760939

CC(C)c1c(-c2ccccc2)n(COCCO)c(=S)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.39
SIRT2 Q8IXJ6 9/20 0.39
SIRT1 Q96EB6 2/20 0.39
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PNP P00491 2/20 0.36
OPRM1 P35372 1/20 0.34
MPO P05164 1/20 0.34

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
SCHEMBL8760742 0.88 UPP1 (0.48) UPP1ALDH1A1PNP
SCHEMBL5572945 0.85 UPP1 (0.41) UPP1SIRT2SIRT1ALDH1A1TDP1
SCHEMBL8760250 0.84 SIRT2 (0.47) UPP1SIRT2SIRT1ALDH1A1TDP1
SCHEMBL9354043 0.84 UPP1 (0.39) UPP1SIRT2SIRT1ALDH1A1TDP1
SCHEMBL8428848 0.84 UPP1 (0.37) UPP1ALDH1A1TDP1KDM4EMAPT
SCHEMBL9353989 0.83 UPP1 (0.42) UPP1SIRT2SIRT1ALDH1A1TDP1
SCHEMBL9353752 0.82 UPP1 (0.41) UPP1SIRT2SIRT1ALDH1A1TDP1
SCHEMBL8760934 0.81 UPP1 (0.37) UPP1ALDH1A1TDP1KDM4EMAPT
SCHEMBL9357439 0.81 UPP1 (0.38) UPP1SIRT2SIRT1ALDH1A1TDP1
SCHEMBL9357346 0.81 SIRT2 (0.56) UPP1SIRT2SIRT1

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

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