SCHEMBL5539725

SCHEMBL5539725

CC(C)c1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)O)c3ccccc23)cc1.CC(C)c1ccccc1NC(=O)/C(C#N)=C/c1cn(CC(=O)O)c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.71
KMT2A Q03164 7/20 0.71
PTGDR2 Q9Y5Y4 6/20 0.71
ALDH1A1 P00352 2/20 0.71
KDM4E B2RXH2 2/20 0.71
MAPT P10636 1/20 0.71
GAA P10253 1/20 0.68
USP2 O75604 1/20 0.61
POLB P06746 1/20 0.61
SLC16A1 P53985 6/20 0.53
ABCB1 P08183 1/20 0.50

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
SCHEMBL5539728 1.00 MEN1 (0.71) MEN1KMT2APTGDR2ALDH1A1KDM4E
SCHEMBL2087522 0.93 MEN1 (0.81) MEN1KMT2APTGDR2ALDH1A1KDM4E
SCHEMBL2087524 0.93 MEN1 (0.81) MEN1KMT2APTGDR2ALDH1A1KDM4E
SCHEMBL2086201 0.93 MEN1 (0.78) MEN1KMT2APTGDR2ALDH1A1KDM4E
SCHEMBL2086198 0.93 MEN1 (0.78) MEN1KMT2APTGDR2ALDH1A1KDM4E
SCHEMBL2089075 0.85 MEN1 (0.77) MEN1KMT2APTGDR2ALDH1A1KDM4E
SCHEMBL2089073 0.85 MEN1 (0.77) MEN1KMT2APTGDR2ALDH1A1KDM4E
SCHEMBL5539733 0.85 PTGDR2 (0.68) MEN1KMT2APTGDR2ALDH1A1KDM4E
SCHEMBL5533349 0.84 MEN1 (0.73) MEN1KMT2APTGDR2ALDH1A1KDM4E
SCHEMBL5533347 0.84 MEN1 (0.73) MEN1KMT2APTGDR2ALDH1A1KDM4E

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