SCHEMBL92527

SCHEMBL92527

Cc1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5ccc(-c6ccccc6)cc5C4=O)cc3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.60
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
RAB9A P51151 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LPAR1 Q92633 2/20 0.46
LPAR3 Q9UBY5 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL12317361 0.90 BRD4 (0.60) BRD4MEN1KMT2AALDH1A1GAA
SCHEMBL10000442 0.88 BRD4 (0.74) BRD4MEN1KMT2AALDH1A1GAA
SCHEMBL17281688 0.88 BRD4 (0.61) BRD4MEN1KMT2AHTTLPAR1
SCHEMBL14010059 0.85 BRD4 (0.60) BRD4MEN1KMT2AALDH1A1GAA
SCHEMBL13018338 0.85 MEN1 (0.53) BRD4MEN1KMT2AALDH1A1GAA
SCHEMBL25751090 0.85 MEN1 (0.53) BRD4MEN1KMT2AALDH1A1GAA
SCHEMBL13018340 0.85 MEN1 (0.53) BRD4MEN1KMT2AALDH1A1GAA
SCHEMBL13018341 0.85 MEN1 (0.53) BRD4MEN1KMT2AALDH1A1GAA
SCHEMBL13533865 0.84 BRD4 (0.55) BRD4MEN1KMT2AALDH1A1GAA
SCHEMBL13678848 0.84 MEN1 (0.69) BRD4MEN1KMT2AALDH1A1GAA

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-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