SCHEMBL10000448

SCHEMBL10000448

COc1cccc(Oc2ccc(N3C(=O)c4ccc(C#Cc5ccccc5)cc4C3=O)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
HTT P42858 2/20 0.52
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NR1H3 Q13133 2/20 0.49
NR1H2 P55055 1/20 0.49
MCHR1 Q99705 1/20 0.48
ESR1 P03372 1/20 0.48
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
NTRK1 P04629 1/20 0.44
IGF1R P08069 1/20 0.44
FGFR1 P11362 1/20 0.44
NTRK2 Q16620 1/20 0.44

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
SCHEMBL13023415 0.94 MEN1 (0.57) BRD4MEN1KMT2AHTTALDH1A1
SCHEMBL84247 0.92 MEN1 (0.58) BRD4MEN1KMT2AHTTALDH1A1
SCHEMBL6400602 0.91 BRD4 (0.56) BRD4MEN1KMT2AHTTALDH1A1
SCHEMBL10000443 0.90 MEN1 (0.56) BRD4MEN1KMT2AHTTALDH1A1
SCHEMBL19689371 0.90 BRD4 (0.58) BRD4MEN1KMT2AHTTALDH1A1
SCHEMBL10000526 0.90 BRD4 (0.47) BRD4MEN1KMT2AHTTALDH1A1
SCHEMBL15695540 0.90 BRD4 (0.56) BRD4MEN1KMT2AHTTALDH1A1
SCHEMBL29308141 0.87 BRD4 (0.56) BRD4MEN1KMT2AHTTALDH1A1
SCHEMBL10000447 0.86 MEN1 (0.54) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL29308184 0.86 ALDH1A1 (0.52) MEN1KMT2AHTTALDH1A1NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-8102753-B2 Method for forming deformed regions in a resin layer INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-01-24 US disclosed
US-20070196645-A1 Method for high density data storage and imaging INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2007-08-23 US disclosed