SCHEMBL84252

SCHEMBL84252

CN1C(=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 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
POLB P06746 2/20 0.42
MAPK1 P28482 1/20 0.42
ENPP2 Q13822 1/20 0.40
PKM P14618 1/20 0.39
LPAR1 Q92633 2/20 0.38
LPAR3 Q9UBY5 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.38
BRD4 O60885 1/20 0.37
PTGES O14684 1/20 0.37
MCHR1 Q99705 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL10000527 0.92 MEN1 (0.46) MEN1KMT2APOLBMAPK1ENPP2
SCHEMBL84265 0.91 KMT2A (0.41) MEN1KMT2APOLBMAPK1ENPP2
SCHEMBL29308142 0.89 CA9 (0.48) MEN1KMT2APOLBMAPK1ENPP2
SCHEMBL14438542 0.86 LPAR1 (0.43) MEN1KMT2APOLBMAPK1ENPP2
SCHEMBL22566814 0.82 KMT2A (0.46) MEN1KMT2APOLBPKMCA12
SCHEMBL14453123 0.82 MEN1 (0.35) MEN1KMT2APOLBMAPK1ENPP2
SCHEMBL14114063 0.81 PKM (0.36) MEN1KMT2APOLBMAPK1ENPP2
SCHEMBL10000441 0.81 KMT2A (0.49) MEN1KMT2APOLBMAPK1PKM
SCHEMBL10000520 0.81 MEN1 (0.52) MEN1KMT2APOLBMAPK1PKM
SCHEMBL29308141 0.80 BRD4 (0.56) MEN1KMT2APOLBMAPK1ENPP2

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 4 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-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-20080219135-A1 METHOD FOR HIGH DENSITY DATA STORAGE AND IMAGING GLOBALFOUNDRIES U.S. INC. 2008-09-11 US disclosed