SCHEMBL3412438

SCHEMBL3412438

COC(=O)c1n[nH]c2cccc(Cc3ccc(S(C)(=O)=O)cc3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HIF1A Q16665 2/20 0.46
STAT3 P40763 1/20 0.46
CSNK2A1 P68400 1/20 0.41
AR P10275 1/20 0.39
LRRK2 Q5S007 2/20 0.38
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK9 P45984 2/20 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
SCHEMBL7745040 0.87 KDM4E (0.55) KDM4EHIF1ASTAT3ALDH1A1NPC1
SCHEMBL998544 0.74 KDM4E (0.45) KDM4EHIF1ASTAT3ALDH1A1GAA
SCHEMBL998168 0.74 KDM4E (0.45) MAPK8KDM4EHIF1ASTAT3LRRK2
SCHEMBL998780 0.73 KDM4E (0.43) KDM4EHIF1ASTAT3MEN1KMT2A
SCHEMBL997498 0.73 KDM4E (0.43) KDM4EHIF1ASTAT3ALDH1A1L3MBTL1
SCHEMBL1899541 0.72 CYP1A2 (0.48) KDM4EALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL2599805 0.72 KDM4E (0.60) KDM4EHIF1ASTAT3LRRK2KMT2A
SCHEMBL4958867 0.71 PTGS2 (0.46) MAPK8KDM4EHIF1ASTAT3AR
SCHEMBL5493286 0.71 KDM4E (0.41) KDM4EHIF1ASTAT3ALDH1A1GAA
SCHEMBL7737920 0.71 KDM4E (0.59) KDM4EHIF1ASTAT3LRRK2ALDH1A1

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-2257340-A2 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BioMarin IGA Limited (BS) 2010-12-08 EP disclosed
WO-2009121623-A2 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-10-08 WO disclosed