SCHEMBL5545284

SCHEMBL5545284

COc1ccc(-c2ccccc2)cc1NC(=O)C(C#N)=Cc1cn(CC(=O)O)c2ccccc12.N#CC(=Cc1cn(CC(=O)O)c2ccccc12)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
PTGDR2 Q9Y5Y4 4/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 3/20 0.57
KDM4E B2RXH2 1/20 0.57
USP2 O75604 1/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
SLC16A1 P53985 7/20 0.52
ABCB1 P08183 3/20 0.52
ABCC1 P33527 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 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
SCHEMBL5545279 1.00 MEN1 (0.57) MEN1KMT2APTGDR2ALDH1A1MAPT
SCHEMBL2088770 0.90 MEN1 (0.68) MEN1KMT2APTGDR2ALDH1A1MAPT
SCHEMBL2088767 0.90 MEN1 (0.68) MEN1KMT2APTGDR2ALDH1A1MAPT
SCHEMBL2086868 0.88 MEN1 (0.74) MEN1KMT2APTGDR2ALDH1A1MAPT
SCHEMBL2086866 0.88 MEN1 (0.74) MEN1KMT2APTGDR2ALDH1A1MAPT
SCHEMBL5541138 0.84 MEN1 (0.64) MEN1KMT2APTGDR2ALDH1A1MAPT
SCHEMBL5541148 0.84 MEN1 (0.64) MEN1KMT2APTGDR2ALDH1A1MAPT
SCHEMBL5541065 0.82 MEN1 (0.57) MEN1KMT2APTGDR2ALDH1A1MAPT
SCHEMBL5541150 0.81 MEN1 (0.56) MEN1KMT2APTGDR2ALDH1A1MAPT
SCHEMBL2087267 0.81 MEN1 (0.70) MEN1KMT2APTGDR2ALDH1A1MAPT

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