SCHEMBL84265

SCHEMBL84265

CCN1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc6c(c5)C(=O)N(c5cc(C(=O)c7ccc(C#Cc8ccccc8)cc7)cc(N7C(=O)c8ccc(C#Cc9ccccc9)cc8C7=O)c5)C6=O)cc4)cc3)cc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
POLB P06746 3/20 0.41
MEN1 O00255 3/20 0.41
MAPK1 P28482 1/20 0.41
LPAR1 Q92633 2/20 0.39
LPAR3 Q9UBY5 2/20 0.39
ENPP2 Q13822 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGES O14684 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
GRM5 P41594 2/20 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
SCHEMBL14438542 0.94 LPAR1 (0.43) KMT2APOLBMEN1MAPK1LPAR1
SCHEMBL84252 0.91 MEN1 (0.42) KMT2APOLBMEN1MAPK1LPAR1
SCHEMBL10000527 0.90 MEN1 (0.46) KMT2APOLBMEN1MAPK1LPAR1
SCHEMBL29308142 0.87 CA9 (0.48) KMT2APOLBMEN1MAPK1LPAR1
SCHEMBL14453123 0.83 MEN1 (0.35) KMT2APOLBMEN1MAPK1LPAR1
SCHEMBL10000440 0.82 POLB (0.44) KMT2APOLBMEN1ENPP2ALDH1A1
SCHEMBL22566814 0.80 KMT2A (0.46) KMT2APOLBMEN1PKMPTGES
SCHEMBL10000441 0.79 KMT2A (0.49) KMT2APOLBMEN1MAPK1LPAR1
SCHEMBL10000520 0.79 MEN1 (0.52) KMT2APOLBMEN1MAPK1LPAR1
SCHEMBL14114063 0.78 PKM (0.36) KMT2APOLBMEN1MAPK1LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8792318-B2 Method for high density data storage and imaging INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-07-29 US disclosed
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-20120155242-A1 METHOD FOR HIGH DENSITY DATA STORAGE AND IMAGING INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-06-21 US disclosed
US-8129496-B2 Method for high density data storage and imaging INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-03-06 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