SCHEMBL8760119

SCHEMBL8760119

CCc1c(Sc2ccccc2)n(COCCO[Si](C)(C)C(C)(C)C)c(=S)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.43
SIRT2 Q8IXJ6 2/20 0.32
SIRT1 Q96EB6 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
DHFR P00374 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
SCHEMBL8760905 0.90 DUT (0.47) DUTTSHRMAPK1NPSR1DHFR
SCHEMBL8760114 0.84 DUT (0.49) DUTSIRT2SIRT1NPSR1
SCHEMBL8760255 0.83 UPP1 (0.40) SIRT2SIRT1
SCHEMBL7213426 0.83 SIRT2 (0.40) SIRT2SIRT1TSHRMAPK1NPSR1
SCHEMBL9353908 0.79 DUT (0.49) DUTTSHRMAPK1NPSR1
SCHEMBL9353726 0.78 DUT (0.48) DUTTSHRMAPK1NPSR1
SCHEMBL8760109 0.76 DUT (0.43) DUTSIRT2SIRT1NPSR1
SCHEMBL9353904 0.75 DUT (0.47) DUTSIRT2SIRT1NPSR1
SCHEMBL9353718 0.75 DUT (0.47) DUTSIRT2SIRT1NPSR1
SCHEMBL9353922 0.74 DUT (0.44) DUTTSHRMAPK1NPSR1

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 3 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 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