SCHEMBL10000440

SCHEMBL10000440

CCN1C(=O)c2ccc(Cc3ccc4c(c3)C(=O)N(c3cc(C(=O)c5ccc(C#Cc6ccccc6)cc5)cc(N5C(=O)c6ccc(C#Cc7ccccc7)cc6C5=O)c3)C4=O)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
GRM5 P41594 3/20 0.43
ENPP2 Q13822 1/20 0.39
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.37
HPGD P15428 1/20 0.37
PPARA Q07869 1/20 0.37
MMP2 P08253 3/20 0.37
MMP9 P14780 3/20 0.37
APEX1 P27695 1/20 0.36
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL14114058 0.83 ALDH1A1 (0.41) POLBALDH1A1MEN1KMT2AGRM5
SCHEMBL84265 0.82 KMT2A (0.41) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL10000445 0.81 CA9 (0.46) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL10000438 0.79 GRM5 (0.52) ALDH1A1MEN1KMT2AGRM5MMP2
SCHEMBL504644 0.78 GRM5 (0.60) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL13132794 0.77 CA1 (0.50) POLBALDH1A1MEN1KMT2AGRM5
SCHEMBL14438542 0.77 LPAR1 (0.43) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL84238 0.76 GRM5 (0.58) MEN1KMT2AGRM5HPGDMMP2
SCHEMBL13132630 0.74 CA1 (0.50) POLBALDH1A1MEN1KMT2AGRM5
SCHEMBL19168575 0.74 GRM5 (0.46) POLBALDH1A1MEN1KMT2AGRM5

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-20120034383-A1 METHOD FOR HIGH DENSITY DATA STORAGE AND IMAGING INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-02-09 US disclosed
US-20120033539-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