SCHEMBL8760109

SCHEMBL8760109

CCc1c(-c2ccccc2)n(COCCO[Si](C)(C)C(C)(C)C)c(=S)[nH]c1=S

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.43
SIRT2 Q8IXJ6 3/20 0.33
SIRT1 Q96EB6 1/20 0.33
BUB1 O43683 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8760114 0.90 DUT (0.49) DUTSIRT2SIRT1BUB1ALDH1A1
SCHEMBL9353904 0.82 DUT (0.47) DUTSIRT2SIRT1BUB1KDM4E
SCHEMBL9353718 0.81 DUT (0.47) DUTSIRT2SIRT1BUB1ALDH1A1
SCHEMBL8760238 0.81 UPP1 (0.37) SIRT2SIRT1KDM4EALDH1A1MAPT
SCHEMBL7213420 0.80 SIRT2 (0.41) SIRT2SIRT1KDM4EALDH1A1MAPT
SCHEMBL9353918 0.77 DUT (0.43) DUTSIRT2SIRT1BUB1
SCHEMBL9357376 0.77 DUT (0.51) DUTKDM4EALDH1A1MAPTHPGD
SCHEMBL8760119 0.76 DUT (0.43) DUTSIRT2SIRT1NPSR1
SCHEMBL8760122 0.73 SIRT2 (0.34) SIRT2SIRT1
SCHEMBL8760250 0.70 SIRT2 (0.47) SIRT2SIRT1ALDH1A1NPSR1RXFP1

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