SCHEMBL5536176

SCHEMBL5536176

COc1ccc(NC(=O)C(C#N)=Cc2cn(CC(=O)O)c3ccccc23)cc1Cl.N#CC(=Cc1cn(CC(=O)O)c2ccccc12)C(=O)N(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
ALDH1A1 P00352 2/20 0.57
PTGDR2 Q9Y5Y4 9/20 0.57
MAPT P10636 4/20 0.57
KDM4E B2RXH2 1/20 0.57
USP2 O75604 1/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.49
SLC16A1 P53985 1/20 0.48

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
SCHEMBL2087265 0.90 MEN1 (0.70) MEN1KMT2AALDH1A1PTGDR2MAPT
SCHEMBL2087267 0.90 MEN1 (0.70) MEN1KMT2AALDH1A1PTGDR2MAPT
SCHEMBL5536170 0.85 MEN1 (0.59) MEN1KMT2AALDH1A1PTGDR2MAPT
SCHEMBL5536174 0.85 MEN1 (0.59) MEN1KMT2AALDH1A1PTGDR2MAPT
SCHEMBL2088961 0.83 PTGDR2 (0.73) MEN1KMT2AALDH1A1PTGDR2MAPT
SCHEMBL2087601 0.80 MEN1 (0.76) MEN1KMT2AALDH1A1PTGDR2MAPT
SCHEMBL2087602 0.80 MEN1 (0.76) MEN1KMT2AALDH1A1PTGDR2MAPT
SCHEMBL2089167 0.78 PTGDR2 (0.76) MEN1KMT2AALDH1A1PTGDR2MAPT
SCHEMBL2086160 0.78 MEN1 (0.79) MEN1KMT2AALDH1A1PTGDR2MAPT
SCHEMBL2089166 0.78 PTGDR2 (0.76) MEN1KMT2AALDH1A1PTGDR2MAPT

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