SCHEMBL5536170

SCHEMBL5536170

COc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)O)c3ccccc23)cc1Cl.N#C/C(=C\c1cn(CC(=O)O)c2ccccc12)C(=O)Nc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
GAA P10253 1/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 5/20 0.59
PTGDR2 Q9Y5Y4 4/20 0.59
KDM4E B2RXH2 1/20 0.59
USP2 O75604 1/20 0.57
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.52
SLC16A1 P53985 4/20 0.51
ABCB1 P08183 1/20 0.51
ABCC1 P33527 1/20 0.51
TP53 P04637 1/20 0.51
THRB P10828 1/20 0.49

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
SCHEMBL5536174 1.00 MEN1 (0.59) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL2087265 0.91 MEN1 (0.70) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL2087267 0.91 MEN1 (0.70) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL2088954 0.86 KMT2A (0.75) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL2088958 0.86 KMT2A (0.75) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL5536176 0.85 MEN1 (0.57) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL2087281 0.82 MEN1 (0.68) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL2087279 0.82 MEN1 (0.68) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL2088057 0.81 MEN1 (0.78) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL2088058 0.81 MEN1 (0.78) MEN1KMT2AGAAALDH1A1MAPT

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