SCHEMBL5533349

SCHEMBL5533349

CC(C)c1ccc(NC(=O)C(C#N)=Cc2cn(CC(=O)O)c3ccccc23)cc1.COc1cccc(NC(=O)C(C#N)=Cc2cn(CC(=O)O)c3ccccc23)c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.73
KMT2A Q03164 7/20 0.73
USP2 O75604 1/20 0.73
POLB P06746 1/20 0.73
MAPT P10636 6/20 0.69
PTGDR2 Q9Y5Y4 4/20 0.69
ALDH1A1 P00352 2/20 0.69
KDM4E B2RXH2 1/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
TP53 P04637 1/20 0.67
SLC16A1 P53985 4/20 0.66
ABCB1 P08183 2/20 0.66
ABCC1 P33527 1/20 0.66
GAA P10253 1/20 0.57
THRB P10828 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
SCHEMBL5533347 1.00 MEN1 (0.73) MEN1KMT2AUSP2POLBMAPT
SCHEMBL2086833 0.93 MEN1 (0.84) MEN1KMT2AUSP2POLBMAPT
SCHEMBL2086836 0.93 MEN1 (0.84) MEN1KMT2AUSP2POLBMAPT
SCHEMBL2087522 0.90 MEN1 (0.81) MEN1KMT2AUSP2POLBMAPT
SCHEMBL2087524 0.90 MEN1 (0.81) MEN1KMT2AUSP2POLBMAPT
SCHEMBL2089222 0.87 MEN1 (0.83) MEN1KMT2AUSP2POLBMAPT
SCHEMBL2089221 0.87 MEN1 (0.83) MEN1KMT2AUSP2POLBMAPT
SCHEMBL2087919 0.86 MEN1 (0.77) MEN1KMT2AUSP2POLBMAPT
SCHEMBL2087921 0.86 MEN1 (0.77) MEN1KMT2AUSP2POLBMAPT
SCHEMBL2087549 0.85 MEN1 (0.82) MEN1KMT2AUSP2POLBMAPT

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 disclosed
WO-2005094816-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-10-13 WO disclosed