SCHEMBL5793051

SCHEMBL5793051

Cc1ccc(S(=O)(=O)n2cc(C)cc2I)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
POLB P06746 3/20 0.46
HTT P42858 2/20 0.46
ALDH3A1 P30838 1/20 0.46
NOD1 Q9Y239 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
RAPGEF4 Q8WZA2 3/20 0.45
PKM P14618 3/20 0.44
KDM4E B2RXH2 1/20 0.44
UBE2N P61088 1/20 0.44
MMP2 P08253 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL5795139 0.85 ALDH1A1 (0.45) L3MBTL1POLBHTTALDH3A1NOD1
SCHEMBL28904396 0.85 CA1 (0.49) L3MBTL1POLBHTTALDH3A1NOD1
SCHEMBL28479304 0.79 CA1 (0.53) L3MBTL1POLBHTTALDH3A1NOD1
SCHEMBL19204912 0.77 L3MBTL1 (0.45) L3MBTL1POLBHTTALDH3A1NOD1
SCHEMBL5794254 0.77 NPSR1 (0.41) L3MBTL1POLBHTTALDH3A1NOD1
SCHEMBL7641128 0.75 RAPGEF4 (0.61) L3MBTL1POLBHTTALDH3A1NOD1
SCHEMBL17397399 0.75 CA1 (0.49) L3MBTL1POLBHTTALDH3A1NOD1
SCHEMBL19204867 0.75 L3MBTL1 (0.43) L3MBTL1POLBHTTALDH3A1NOD1
SCHEMBL12696218 0.74 CA1 (0.49) L3MBTL1POLBHTTALDH3A1NOD1
SCHEMBL7317576 0.72 ALDH1A1 (0.54) L3MBTL1POLBHTTALDH3A1NOD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1950083-A Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA SA (FR) 2007-04-18 CN disclosed
EP-1732546-A2 NOVEL PYRROLO (2,3-B)PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS Aventis Pharma S.A. (FR) 2006-12-20 EP disclosed
WO-2005095399-A2 NOVEL PYRROLO (2,3-B)PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2005-10-13 WO disclosed