SCHEMBL10000447

SCHEMBL10000447

COc1ccc2c(c1)C(=O)N(c1cccc(N3C(=O)c4ccc(C#Cc5ccccc5)cc4C3=O)c1)C2=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.47
ESR1 P03372 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
NR1H3 Q13133 2/20 0.44
NR1H2 P55055 1/20 0.44

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
SCHEMBL13023415 0.89 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL16937189 0.88 GRM5 (0.51) MEN1KMT2AALDH1A1MAPTESR1
SCHEMBL10000441 0.87 KMT2A (0.49) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL10000448 0.86 BRD4 (0.55) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL13433471 0.86 GRM5 (0.51) MEN1KMT2AALDH1A1MAPTESR1
SCHEMBL12231557 0.86 MEN1 (0.61) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL10000526 0.86 BRD4 (0.47) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL14114060 0.85 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL19689371 0.84 BRD4 (0.58) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL10000439 0.83 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTGAA

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
US-8289833-B2 Method for high density data storage and imaging INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-10-16 US disclosed
US-20120033539-A1 METHOD FOR HIGH DENSITY DATA STORAGE AND IMAGING INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-02-09 US disclosed