SCHEMBL5533095

SCHEMBL5533095

CN(Cc1ccccc1)C(=O)C(C#N)=Cc1cn(CC(=O)O)c2ccccc12.C[C@H](c1ccccc1)N(C)C(=O)C(C#N)=Cc1cn(CC(=O)O)c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.67
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPT P10636 1/20 0.55
GAA P10253 1/20 0.53
LMNA P02545 1/20 0.52
THRB P10828 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
SCHEMBL5533090 1.00 PTGDR2 (0.67) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2088847 0.94 PTGDR2 (0.73) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2088845 0.94 PTGDR2 (0.73) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2087438 0.92 PTGDR2 (0.78) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2087439 0.92 PTGDR2 (0.78) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2088879 0.81 PTGDR2 (0.75) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2086849 0.81 PTGDR2 (1.00) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2087142 0.81 PTGDR2 (1.00) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2088880 0.81 PTGDR2 (0.75) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2087224 0.80 PTGDR2 (0.74) 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 4 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
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