SCHEMBL5542535

SCHEMBL5542535

CCn1c2ccccc2c2cc(NC(=O)C(C#N)=Cc3cn(CC(=O)O)c4ccccc34)ccc21.Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cn(CC(=O)O)c3ccccc23)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.68
KMT2A Q03164 8/20 0.68
ALDH1A1 P00352 3/20 0.68
GAA P10253 1/20 0.66
MAPT P10636 5/20 0.61
PTGDR2 Q9Y5Y4 5/20 0.61
KDM4E B2RXH2 2/20 0.61
MITF O75030 1/20 0.59
HPGD P15428 1/20 0.59
USP2 O75604 1/20 0.59
POLB P06746 1/20 0.59
NPSR1 Q6W5P4 1/20 0.53
THRB P10828 1/20 0.52
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
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
SCHEMBL5542529 1.00 MEN1 (0.68) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL2088622 0.92 MEN1 (0.73) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL2088623 0.92 MEN1 (0.73) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL2089185 0.89 MEN1 (0.82) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL2089183 0.89 MEN1 (0.82) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL5542540 0.85 MEN1 (0.68) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL2088120 0.82 MEN1 (0.86) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL2088119 0.82 MEN1 (0.86) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL2087942 0.82 MEN1 (1.00) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL2087939 0.82 MEN1 (1.00) MEN1KMT2AALDH1A1GAAMAPT

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