SCHEMBL5532133

SCHEMBL5532133

COc1cccc(N(C)C(=O)C(C#N)=Cc2cn(CC(=O)O)c3ccccc23)c1.N#CC(=Cc1cn(CC(=O)O)c2ccccc12)C(=O)Nc1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
USP2 O75604 1/20 0.65
POLB P06746 1/20 0.65
PTGDR2 Q9Y5Y4 12/20 0.63
ALDH1A1 P00352 2/20 0.62
MAPT P10636 3/20 0.60
KDM4E B2RXH2 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
TP53 P04637 1/20 0.59
ABCB1 P08183 1/20 0.58
ABCC1 P33527 1/20 0.58
SLC16A1 P53985 1/20 0.58

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
SCHEMBL2087219 0.89 PTGDR2 (0.79) MEN1KMT2AUSP2POLBPTGDR2
SCHEMBL5531897 0.88 PTGDR2 (0.61) MEN1KMT2AUSP2POLBPTGDR2
SCHEMBL2086836 0.87 MEN1 (0.84) MEN1KMT2AUSP2POLBPTGDR2
SCHEMBL2086833 0.87 MEN1 (0.84) MEN1KMT2AUSP2POLBPTGDR2
SCHEMBL2087558 0.87 MEN1 (0.80) MEN1KMT2AUSP2POLBPTGDR2
SCHEMBL2087559 0.87 MEN1 (0.80) MEN1KMT2AUSP2POLBPTGDR2
SCHEMBL5532128 0.86 MEN1 (0.66) MEN1KMT2AUSP2POLBPTGDR2
SCHEMBL5532121 0.86 MEN1 (0.66) MEN1KMT2AUSP2POLBPTGDR2
SCHEMBL2086160 0.83 MEN1 (0.79) MEN1KMT2AUSP2POLBPTGDR2
SCHEMBL2086163 0.83 MEN1 (0.79) MEN1KMT2AUSP2POLBPTGDR2

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