SCHEMBL10000451

SCHEMBL10000451

CCc1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc(C)cc6)cc5C4=O)cc3)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.63
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
ALDH1A1 P00352 5/20 0.51
NPSR1 Q6W5P4 2/20 0.51
GAA P10253 1/20 0.50
LPAR1 Q92633 1/20 0.49
LPAR3 Q9UBY5 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.47
NR1H3 Q13133 2/20 0.47
NR1H2 P55055 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
PKM P14618 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
SCHEMBL10000519 0.96 BRD4 (0.58) BRD4MEN1KMT2AALDH1A1NPSR1
SCHEMBL10000442 0.91 BRD4 (0.74) BRD4MEN1KMT2AALDH1A1NPSR1
SCHEMBL13899501 0.85 MEN1 (0.70) BRD4MEN1KMT2AALDH1A1NPSR1
SCHEMBL14438541 0.85 BRD4 (0.54) BRD4MEN1KMT2AALDH1A1NPSR1
SCHEMBL19339996 0.85 BRD4 (0.54) BRD4MEN1KMT2AALDH1A1NPSR1
SCHEMBL84314 0.84 BRD4 (0.53) BRD4MEN1KMT2AALDH1A1NPSR1
SCHEMBL25918284 0.83 NR1H3 (0.64) MEN1KMT2AALDH1A1GAATDP1
SCHEMBL13678848 0.82 MEN1 (0.69) BRD4MEN1KMT2AALDH1A1NPSR1
SCHEMBL15887278 0.81 BRD4 (0.44) BRD4MEN1KMT2AALDH1A1NPSR1
SCHEMBL14678620 0.81 BRD4 (0.54) BRD4MEN1KMT2AALDH1A1NPSR1

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-8289833-B2 Method for high density data storage and imaging INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-10-16 US disclosed
US-20120033539-A1 METHOD FOR HIGH DENSITY DATA STORAGE AND IMAGING INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-02-09 US disclosed