SCHEMBL5537258

SCHEMBL5537258

N#CC(=Cc1cn(CC(=O)O)c2ccccc12)C(=O)Nc1ccc(I)cc1.N#CC(=Cc1cn(CC(=O)O)c2ccccc12)C(=O)Nc1cccc(I)c1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.79
KMT2A Q03164 8/20 0.79
PTGDR2 Q9Y5Y4 5/20 0.79
MAPT P10636 5/20 0.79
ALDH1A1 P00352 2/20 0.79
KDM4E B2RXH2 2/20 0.79
USP2 O75604 1/20 0.69
POLB P06746 1/20 0.69
GAA P10253 1/20 0.62
THRB P10828 1/20 0.56
SLC16A1 P53985 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL5529276 1.00 MEN1 (0.79) MEN1KMT2APTGDR2MAPTALDH1A1
SCHEMBL2089192 0.96 MEN1 (0.81) MEN1KMT2APTGDR2MAPTALDH1A1
SCHEMBL2089190 0.96 MEN1 (0.81) MEN1KMT2APTGDR2MAPTALDH1A1
SCHEMBL2089283 0.94 MEN1 (0.86) MEN1KMT2APTGDR2MAPTALDH1A1
SCHEMBL2089285 0.94 MEN1 (0.86) MEN1KMT2APTGDR2MAPTALDH1A1
SCHEMBL2086393 0.89 PTGDR2 (1.00) MEN1KMT2APTGDR2MAPTALDH1A1
SCHEMBL2086396 0.89 PTGDR2 (1.00) MEN1KMT2APTGDR2MAPTALDH1A1
SCHEMBL2087942 0.85 MEN1 (1.00) MEN1KMT2APTGDR2MAPTALDH1A1
SCHEMBL2086633 0.85 PTGDR2 (1.00) MEN1KMT2APTGDR2MAPTALDH1A1
SCHEMBL2088181 0.85 MEN1 (0.81) MEN1KMT2APTGDR2MAPTALDH1A1

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-1740171-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2007-01-10 EP claimed
WO-2005094816-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-10-13 WO claimed