SCHEMBL4600072

SCHEMBL4600072

NC(C=O)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 5/20 0.44
MAOB P27338 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
ADAMTS4 O75173 1/20 0.40
ENPP3 O14638 5/20 0.40
ENPP1 P22413 5/20 0.40
ENPP2 Q13822 3/20 0.39

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
SCHEMBL1827998 0.81 TDP1 (0.54) TDP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1825047 0.81 TDP1 (0.54) TDP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1821702 0.79 TDP1 (0.51) TDP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3838524 0.78 TDP1 (0.62) TDP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL19123529 0.77 STS (0.38) CA12CA2
SCHEMBL1825746 0.76 TDP1 (0.51) TDP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1826108 0.76 TDP1 (0.59) TDP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL19146 0.75 TDP1 (0.73) TDP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7981247 0.75 TDP1 (0.73) TDP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1822250 0.75 TDP1 (0.47) TDP1MAPTSMN1; SMN2NPC1RAB9A

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