SCHEMBL84816

SCHEMBL84816

Cc1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc(C(C)(C)c7ccc(Oc8ccc9c(c8)C(=O)N(C)C9=O)cc7)cc6)cc5C4=O)cc3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.58
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
PKM P14618 1/20 0.47
ALDH1A1 P00352 5/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
RAB9A P51151 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LPAR1 Q92633 2/20 0.43
LPAR3 Q9UBY5 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL14882399 0.95 MEN1 (0.55) BRD4MEN1KMT2APKMALDH1A1
SCHEMBL13238879 0.95 MEN1 (0.55) BRD4MEN1KMT2APKMALDH1A1
SCHEMBL735210 0.95 MEN1 (0.55) BRD4MEN1KMT2APKMALDH1A1
SCHEMBL12432394 0.95 MEN1 (0.55) BRD4MEN1KMT2APKMALDH1A1
SCHEMBL19220502 0.95 MEN1 (0.55) BRD4MEN1KMT2APKMALDH1A1
SCHEMBL25464664 0.95 MEN1 (0.55) BRD4MEN1KMT2APKMALDH1A1
SCHEMBL10000952 0.92 BRD4 (0.55) BRD4MEN1KMT2APKMALDH1A1
SCHEMBL25627495 0.91 BRD4 (0.50) BRD4MEN1KMT2APKMALDH1A1
SCHEMBL14438539 0.91 MEN1 (0.60) BRD4MEN1KMT2APKMALDH1A1
SCHEMBL15077867 0.91 MEN1 (0.49) BRD4MEN1KMT2APKMALDH1A1

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-8129496-B2 Method for high density data storage and imaging INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-03-06 US disclosed
US-20080219135-A1 METHOD FOR HIGH DENSITY DATA STORAGE AND IMAGING GLOBALFOUNDRIES U.S. INC. 2008-09-11 US disclosed