SCHEMBL4599161

SCHEMBL4599161

COc1ccc(CNc2[c]ccc(OS(=O)(=O)c3ccccc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HIF1A Q16665 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
NCF1 P14598 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40

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
SCHEMBL4598731 0.91 ALDH1A1 (0.41) HTTSMN1; SMN2L3MBTL1LMNATDP1
SCHEMBL4599252 0.90 ALDH1A1 (0.51) HTTSMN1; SMN2L3MBTL1LMNATDP1
SCHEMBL4599999 0.85 L3MBTL1 (0.45) HTTSMN1; SMN2L3MBTL1LMNATDP1
SCHEMBL4610582 0.85 ALDH1A1 (0.45) HTTSMN1; SMN2L3MBTL1LMNATDP1
SCHEMBL4598688 0.82 TDP1 (0.43) HTTSMN1; SMN2L3MBTL1LMNATDP1
SCHEMBL4599391 0.79 HTT (0.40) HTTSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL4599932 0.79 BCHE (0.53) HTTSMN1; SMN2ALDH1A1MAPTNCF1
SCHEMBL4611281 0.79 FAAH (0.40) SMN1; SMN2L3MBTL1LMNATDP1ALDH1A1
SCHEMBL4600500 0.78 ALDH1A1 (0.48) HTTSMN1; SMN2L3MBTL1LMNATDP1
SCHEMBL4599760 0.76 ALDH1A1 (0.40) HTTSMN1; SMN2L3MBTL1LMNATDP1

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