SCHEMBL5541150

SCHEMBL5541150

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
GAA P10253 1/20 0.56
USP2 O75604 1/20 0.54
POLB P06746 1/20 0.54
PTGDR2 Q9Y5Y4 12/20 0.54
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
ABCB1 P08183 1/20 0.50
ABCC1 P33527 1/20 0.50
SLC16A1 P53985 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
SCHEMBL2088770 0.90 MEN1 (0.68) MEN1KMT2AGAAUSP2POLB
SCHEMBL2088767 0.90 MEN1 (0.68) MEN1KMT2AGAAUSP2POLB
SCHEMBL5541138 0.87 MEN1 (0.64) MEN1KMT2AGAAUSP2POLB
SCHEMBL5541148 0.87 MEN1 (0.64) MEN1KMT2AGAAUSP2POLB
SCHEMBL2087574 0.84 PTGDR2 (0.74) MEN1KMT2AUSP2POLBPTGDR2
SCHEMBL5541065 0.82 MEN1 (0.57) MEN1KMT2AGAAUSP2POLB
SCHEMBL5545284 0.81 MEN1 (0.57) MEN1KMT2AGAAUSP2POLB
SCHEMBL5545279 0.81 MEN1 (0.57) MEN1KMT2AGAAUSP2POLB
SCHEMBL2087279 0.81 MEN1 (0.68) MEN1KMT2AGAAUSP2POLB
SCHEMBL2087281 0.81 MEN1 (0.68) MEN1KMT2AGAAUSP2POLB

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