SCHEMBL5533844

SCHEMBL5533844

Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2cn(CC(=O)O)c3ccccc23)c1.Cc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)O)c3ccccc23)cc1Br

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.75
KMT2A Q03164 8/20 0.75
ALDH1A1 P00352 2/20 0.75
PTGDR2 Q9Y5Y4 5/20 0.70
KDM4E B2RXH2 3/20 0.68
MAPT P10636 3/20 0.68
GAA P10253 1/20 0.66
USP2 O75604 1/20 0.63
POLB P06746 1/20 0.63
HPGD P15428 1/20 0.61
XBP1 P17861 1/20 0.61
NPSR1 Q6W5P4 1/20 0.57
THRB P10828 1/20 0.55
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SLC16A1 P53985 2/20 0.53

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
SCHEMBL2087858 0.96 MEN1 (0.76) MEN1KMT2AALDH1A1PTGDR2KDM4E
SCHEMBL2087855 0.96 MEN1 (0.76) MEN1KMT2AALDH1A1PTGDR2KDM4E
SCHEMBL2088606 0.91 MEN1 (0.86) MEN1KMT2AALDH1A1PTGDR2KDM4E
SCHEMBL2088609 0.91 MEN1 (0.86) MEN1KMT2AALDH1A1PTGDR2KDM4E
SCHEMBL2089173 0.89 MEN1 (0.76) MEN1KMT2AALDH1A1PTGDR2KDM4E
SCHEMBL2089170 0.89 MEN1 (0.76) MEN1KMT2AALDH1A1PTGDR2KDM4E
SCHEMBL2087942 0.86 MEN1 (1.00) MEN1KMT2AALDH1A1PTGDR2KDM4E
SCHEMBL2087939 0.86 MEN1 (1.00) MEN1KMT2AALDH1A1PTGDR2KDM4E
SCHEMBL2087601 0.85 MEN1 (0.76) MEN1KMT2AALDH1A1PTGDR2KDM4E
SCHEMBL2087602 0.85 MEN1 (0.76) MEN1KMT2AALDH1A1PTGDR2KDM4E

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