SCHEMBL4599126

SCHEMBL4599126

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.39
ATM Q13315 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
ENPP2 Q13822 4/20 0.37
GPR17 Q13304 1/20 0.37
ENPP1 P22413 4/20 0.37
ENPP3 O14638 3/20 0.37
ACE2 Q9BYF1 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL4599760 0.88 ALDH1A1 (0.40) ALDH1A1LMNAMAPTHTTL3MBTL1
SCHEMBL3454513 0.85 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL4598887 0.82 CA12 (0.35) ALDH1A1HPGDCA12CA1CA2
SCHEMBL4600277 0.81 MEN1 (0.47) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL4599999 0.80 L3MBTL1 (0.45) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL4599861 0.78 GAA (0.40) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL4599252 0.78 ALDH1A1 (0.51) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4599166 0.78 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL6664715 0.75 MEN1 (0.51) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL4598688 0.74 TDP1 (0.43) ALDH1A1LMNAMAPTHTTL3MBTL1

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 2 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