SCHEMBL7213420

SCHEMBL7213420

CCOCn1c(-c2ccccc2)c(CC)c(=S)[nH]c1=S

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 8/20 0.41
SIRT1 Q96EB6 2/20 0.41
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 4/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
SLC2A1 P11166 1/20 0.32
AHR P35869 1/20 0.32

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
SCHEMBL8760238 0.87 UPP1 (0.37) SIRT2SIRT1ALDH1A1TDP1NPSR1
SCHEMBL7213422 0.86 SIRT2 (0.53) SIRT2SIRT1ALDH1A1TDP1NPSR1
SCHEMBL8760109 0.80 DUT (0.43) SIRT2SIRT1ALDH1A1TDP1NPSR1
SCHEMBL8760122 0.79 SIRT2 (0.34) SIRT2SIRT1
SCHEMBL8760250 0.75 SIRT2 (0.47) SIRT2SIRT1ALDH1A1TDP1NPSR1
SCHEMBL7213280 0.73 ALDH1A1 (0.43) SIRT2SIRT1ALDH1A1TDP1NPSR1
SCHEMBL7213452 0.72 ALDH1A1 (0.37) SIRT2SIRT1ALDH1A1TDP1NPSR1
SCHEMBL8426995 0.72 SIRT2 (0.40) SIRT2SIRT1ALDH1A1TDP1NPSR1
SCHEMBL7213284 0.71 ALDH1A1 (0.43) SIRT2SIRT1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7213426 0.69 SIRT2 (0.40) SIRT2SIRT1ALDH1A1TDP1NPSR1

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-RE37979-E1 Pyrimidine derivatives and anti-viral agent containing the same as active ingredient thereof MITSUBISHI CHEMICAL CORPORATION 2003-02-04 US disclosed
EP-0829476-B1 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof MITSUBISHI CHEM CORP (JP) 2002-08-28 EP disclosed
EP-0829476-A2 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof Mitsubishi Chemical Corporation (JP) 1998-03-18 EP disclosed
US-5461060-A Antiretroviral activity MITSUBISHI KASEI CORPORATION (JP) 1995-10-24 US disclosed
EP-0420763-A2 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof Mitsubishi Chemical Corporation (JP) 1991-04-03 EP disclosed