SCHEMBL5539733

SCHEMBL5539733

CC(C)N(C(=O)C(C#N)=Cc1cn(CC(=O)O)c2ccccc12)c1ccccc1.CC(C)c1ccc(NC(=O)C(C#N)=Cc2cn(CC(=O)O)c3ccccc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.68
MEN1 O00255 7/20 0.68
KMT2A Q03164 7/20 0.68
ALDH1A1 P00352 2/20 0.68
KDM4E B2RXH2 1/20 0.68
MAPT P10636 1/20 0.68
GAA P10253 1/20 0.58
USP2 O75604 1/20 0.56
POLB P06746 1/20 0.56
SLC16A1 P53985 1/20 0.51

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
SCHEMBL2087522 0.91 MEN1 (0.81) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2087524 0.91 MEN1 (0.81) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2086202 0.88 PTGDR2 (0.76) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2086489 0.88 PTGDR2 (0.76) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL5539725 0.85 MEN1 (0.71) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL5539728 0.85 MEN1 (0.71) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2089073 0.83 MEN1 (0.77) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2089075 0.83 MEN1 (0.77) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL5533347 0.82 MEN1 (0.73) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL5533349 0.82 MEN1 (0.73) PTGDR2MEN1KMT2AALDH1A1KDM4E

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