SCHEMBL5534134

SCHEMBL5534134

CC(=O)N(C(=O)C(C#N)=Cc1cn(CC(=O)O)c2ccccc12)c1ccccc1.N#CC(=Cc1cn(CC(=O)O)c2ccccc12)C(=O)Nc1ccc2c(c1)CCC2

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.61
MEN1 O00255 7/20 0.61
KMT2A Q03164 7/20 0.61
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MAPT P10636 1/20 0.61
USP2 O75604 1/20 0.59
POLB P06746 1/20 0.59
GAA P10253 1/20 0.55
PTGDR Q13258 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
SCHEMBL2088275 0.90 PTGDR2 (0.74) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2088274 0.90 PTGDR2 (0.74) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL5534131 0.85 MEN1 (0.62) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL5534129 0.85 MEN1 (0.62) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2087193 0.84 PTGDR2 (0.78) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2088896 0.79 PTGDR2 (0.72) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2088898 0.79 PTGDR2 (0.72) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2086396 0.77 PTGDR2 (1.00) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2086393 0.77 PTGDR2 (1.00) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2086640 0.77 MEN1 (0.80) 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 disclosed
WO-2005094816-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-10-13 WO disclosed