SCHEMBL5532121

SCHEMBL5532121

COc1ccc(C)c(NC(=O)/C(C#N)=C/c2cn(CC(=O)O)c3ccccc23)c1.N#C/C(=C\c1cn(CC(=O)O)c2ccccc12)C(=O)Nc1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.66
KMT2A Q03164 7/20 0.66
ALDH1A1 P00352 3/20 0.66
GAA P10253 1/20 0.64
USP2 O75604 1/20 0.64
POLB P06746 1/20 0.64
MAPT P10636 6/20 0.62
PTGDR2 Q9Y5Y4 4/20 0.62
KDM4E B2RXH2 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.60
TP53 P04637 1/20 0.60
SLC16A1 P53985 4/20 0.57
ABCB1 P08183 2/20 0.57
ABCC1 P33527 1/20 0.57
THRB P10828 1/20 0.51
MITF O75030 1/20 0.51
HPGD P15428 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
SCHEMBL5532128 1.00 MEN1 (0.66) MEN1KMT2AALDH1A1GAAUSP2
SCHEMBL2087214 0.91 MEN1 (0.77) MEN1KMT2AALDH1A1GAAUSP2
SCHEMBL2087216 0.91 MEN1 (0.77) MEN1KMT2AALDH1A1GAAUSP2
SCHEMBL2087559 0.88 MEN1 (0.80) MEN1KMT2AALDH1A1GAAUSP2
SCHEMBL2087558 0.88 MEN1 (0.80) MEN1KMT2AALDH1A1GAAUSP2
SCHEMBL2086836 0.86 MEN1 (0.84) MEN1KMT2AALDH1A1GAAUSP2
SCHEMBL2086833 0.86 MEN1 (0.84) MEN1KMT2AALDH1A1GAAUSP2
SCHEMBL5532133 0.86 MEN1 (0.65) MEN1KMT2AALDH1A1USP2POLB
SCHEMBL5531893 0.86 MEN1 (0.64) MEN1KMT2AALDH1A1GAAUSP2
SCHEMBL5531895 0.86 MEN1 (0.64) MEN1KMT2AALDH1A1GAAUSP2

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