SCHEMBL7219922

SCHEMBL7219922

Cc1c(-c2ccccc2)n(COCCOCc2ccccc2)c(=S)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SIRT2 Q8IXJ6 9/20 0.43
SIRT1 Q96EB6 3/20 0.43
TK1 P04183 1/20 0.38
KMT2A Q03164 2/20 0.36
DRD1 P21728 1/20 0.36
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DAO P14920 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
SCHEMBL5572945 0.86 UPP1 (0.41) ALDH1A1SIRT2SIRT1DRD1RXFP1
SCHEMBL7218829 0.84 SIRT2 (0.38) ALDH1A1SIRT2SIRT1KMT2ADRD1
SCHEMBL9353904 0.81 DUT (0.47) ALDH1A1SIRT2SIRT1DRD1RXFP1
SCHEMBL7213303 0.81 SIRT2 (0.44) ALDH1A1SIRT2SIRT1KMT2ARXFP1
SCHEMBL7213309 0.75 KDM4E (0.40) ALDH1A1MAPT
SCHEMBL9357346 0.74 SIRT2 (0.56) SIRT2SIRT1
SCHEMBL7218805 0.74 SIRT2 (0.44) ALDH1A1SIRT2SIRT1KMT2AMEN1
SCHEMBL7218825 0.74 ALDH1A1 (0.39) ALDH1A1SIRT2SIRT1KMT2AMEN1
SCHEMBL9353914 0.73 SIRT2 (0.37) ALDH1A1SIRT2SIRT1RXFP1NPSR1
SCHEMBL7213452 0.73 ALDH1A1 (0.37) ALDH1A1SIRT2SIRT1KMT2AMEN1

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