SCHEMBL7213422

SCHEMBL7213422

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 11/20 0.53
SIRT1 Q96EB6 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 3/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 2/20 0.36
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL8760250 0.88 SIRT2 (0.47) SIRT2SIRT1SMN1; SMN2POLBRECQL
SCHEMBL7213420 0.86 SIRT2 (0.41) SIRT2SIRT1SMN1; SMN2POLBRECQL
SCHEMBL8426995 0.83 SIRT2 (0.40) SIRT2SIRT1SMN1; SMN2POLBALDH1A1
SCHEMBL8760114 0.81 DUT (0.49) SIRT2SIRT1SMN1; SMN2POLBRECQL
SCHEMBL7213426 0.80 SIRT2 (0.40) SIRT2SIRT1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL7213298 0.80 SIRT2 (0.64) SIRT2SIRT1POLBALDH1A1KMT2A
SCHEMBL7213284 0.75 ALDH1A1 (0.43) SIRT2SIRT1SMN1; SMN2RECQLALDH1A1
SCHEMBL1443402 0.74 ALDH1A1 (0.43) SIRT2SIRT1SMN1; SMN2POLBALDH1A1
SCHEMBL8760238 0.74 UPP1 (0.37) SIRT2SIRT1SMN1; SMN2POLBRECQL
SCHEMBL9357346 0.74 SIRT2 (0.56) SIRT2SIRT1

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