SCHEMBL4599861

SCHEMBL4599861

Cc1ccc(S(=O)(=O)Oc2cc[c]c(NCCc3ccccc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ALDH1A1 P00352 7/20 0.39
POLB P06746 1/20 0.39
ENPP1 P22413 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
CA12 O43570 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ATM Q13315 1/20 0.38
CA9 Q16790 1/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 1/20 0.38
ENPP2 Q13822 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4611281 0.92 FAAH (0.40) GAAALDH1A1POLBL3MBTL1CA12
SCHEMBL4599999 0.89 L3MBTL1 (0.45) GAAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL3454513 0.82 MEN1 (0.44) GAAALDH1A1ENPP1MEN1KMT2A
SCHEMBL4598731 0.80 ALDH1A1 (0.41) GAAALDH1A1L3MBTL1CA12CA9
SCHEMBL4598688 0.78 TDP1 (0.43) GAAALDH1A1ENPP1L3MBTL1RAB9A
SCHEMBL4599126 0.78 MEN1 (0.41) GAAALDH1A1ENPP1MEN1KMT2A
SCHEMBL4600277 0.78 MEN1 (0.47) GAAALDH1A1ENPP1MEN1KMT2A
SCHEMBL4599252 0.78 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL4599166 0.75 MEN1 (0.44) GAAALDH1A1ENPP1MEN1KMT2A
SCHEMBL4599161 0.74 HTT (0.49) GAAALDH1A1L3MBTL1CA12CA9

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 4 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-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO disclosed