SCHEMBL3454513

SCHEMBL3454513

CCNc1[c]ccc(OS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ENPP1 P22413 3/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38

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
SCHEMBL4598688 0.88 TDP1 (0.43) ALDH1A1L3MBTL1MAPTHTTENPP1
SCHEMBL4599126 0.85 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL4600277 0.85 MEN1 (0.47) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL4599999 0.84 L3MBTL1 (0.45) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL4599252 0.82 ALDH1A1 (0.51) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL4599861 0.82 GAA (0.40) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL4599166 0.82 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL4599588 0.80 KDM4E (0.37) ALDH1A1HPGDMAPTHTTLMNA
SCHEMBL6664715 0.79 MEN1 (0.51) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL4598894 0.76 MEN1 (0.49) MEN1KMT2AALDH1A1HPGDL3MBTL1

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-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed
EP-2221304-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed