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Sugi Predict / Compounds / SCHEMBL5530430

SCHEMBL5530430

SCHEMBL5530430

CCCCN(C(=O)C(C#N)=Cc1cn(CC(=O)O)c2ccc(F)cc12)c1ccccc1.N#CC(=Cc1cn(CC(=O)O)c2ccc(F)cc12)C(=O)N(c1ccccc1)C1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 17/20 0.68
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL5530426 1.00 PTGDR2 (0.68) PTGDR2MEN1KMT2AALDH1A1GAA
SCHEMBL2087829 0.91 PTGDR2 (0.81) PTGDR2MEN1KMT2AALDH1A1
SCHEMBL2087826 0.91 PTGDR2 (0.81) PTGDR2MEN1KMT2AALDH1A1
SCHEMBL2086668 0.91 PTGDR2 (0.81) PTGDR2MEN1KMT2AALDH1A1GAA
SCHEMBL2086665 0.91 PTGDR2 (0.81) PTGDR2MEN1KMT2AALDH1A1GAA
SCHEMBL5534644 0.89 PTGDR2 (0.71) PTGDR2MEN1KMT2AALDH1A1
SCHEMBL2087643 0.82 PTGDR2 (1.00) PTGDR2MEN1KMT2AALDH1A1GAA
SCHEMBL2087644 0.82 PTGDR2 (1.00) PTGDR2MEN1KMT2AALDH1A1GAA
SCHEMBL2085880 0.81 PTGDR2 (1.00) PTGDR2MEN1KMT2AALDH1A1GAA
SCHEMBL2085879 0.81 PTGDR2 (1.00) PTGDR2MEN1KMT2AALDH1A1GAA

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