SCHEMBL10000438

SCHEMBL10000438

CCCN1C(=O)c2ccc(Cc3ccc4c(c3)C(=O)N(c3cccc(N5C(=O)c6ccc(C#Cc7ccccc7)cc6C5=O)c3)C4=O)cc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.52
MMP2 P08253 4/20 0.41
MMP9 P14780 4/20 0.41
NR1H3 Q13133 2/20 0.40
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
ESR1 P03372 1/20 0.36
NR1H2 P55055 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL16937189 0.82 GRM5 (0.51) GRM5NR1H3ALDH1A1MEN1NPC1
SCHEMBL84238 0.79 GRM5 (0.58) GRM5MMP2MMP9MEN1KMT2A
SCHEMBL10000440 0.79 POLB (0.44) GRM5MMP2MMP9ALDH1A1MEN1
SCHEMBL13433471 0.79 GRM5 (0.51) GRM5NR1H3ALDH1A1MEN1NPC1
SCHEMBL13703631 0.78 GRM5 (0.48) GRM5NR1H3ALDH1A1MEN1NPC1
SCHEMBL7678431 0.76 ESR1 (0.58) GRM5NR1H3ALDH1A1MEN1KMT2A
SCHEMBL2624619 0.76 GRM5 (0.46) GRM5NR1H3ALDH1A1MEN1KMT2A
SCHEMBL10000450 0.76 MAPK1 (0.53) GRM5NR1H3ALDH1A1MEN1KMT2A
SCHEMBL84480 0.75 GRM5 (0.56) GRM5MMP2MMP9ALDH1A1NPC1
SCHEMBL10000447 0.74 MEN1 (0.54) MMP2MMP9NR1H3ALDH1A1MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8369204-B2 Method for high density data storage and imaging INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-02-05 US disclosed
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
US-20120034383-A1 METHOD FOR HIGH DENSITY DATA STORAGE AND IMAGING INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-02-09 US disclosed
US-8102753-B2 Method for forming deformed regions in a resin layer INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-01-24 US disclosed
US-20070196645-A1 Method for high density data storage and imaging INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2007-08-23 US disclosed