SCHEMBL10000439

SCHEMBL10000439

CC(C)(C)c1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc(N4C(=O)c5ccc(C#Cc6ccccc6)cc5C4=O)c2)C3=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 1/20 0.47
BRD4 O60885 1/20 0.44
LPAR1 Q92633 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42
LPAR3 Q9UBY5 1/20 0.42
MCHR1 Q99705 1/20 0.42
HTT P42858 1/20 0.42
PKM P14618 1/20 0.41
CA9 Q16790 3/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
CA2 P00918 1/20 0.38
GRM5 P41594 3/20 0.38

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
SCHEMBL10000441 0.90 KMT2A (0.49) MEN1KMT2AALDH1A1POLBMAPK1
SCHEMBL10000520 0.89 MEN1 (0.52) MEN1KMT2AALDH1A1POLBMAPK1
SCHEMBL14114060 0.88 MEN1 (0.48) MEN1KMT2AALDH1A1POLBMAPK1
SCHEMBL14259658 0.88 MEN1 (0.50) MEN1KMT2AALDH1A1POLBMAPK1
SCHEMBL19689371 0.87 BRD4 (0.58) MEN1KMT2AALDH1A1POLBMAPK1
SCHEMBL10000526 0.87 BRD4 (0.47) MEN1KMT2AALDH1A1POLBMAPK1
SCHEMBL6400602 0.86 BRD4 (0.56) MEN1KMT2AALDH1A1POLBMAPK1
SCHEMBL22566814 0.85 KMT2A (0.46) MEN1KMT2APOLBBRD4MCHR1
SCHEMBL13900322 0.84 CA9 (0.55) MEN1KMT2AALDH1A1CA9CA12
SCHEMBL15695540 0.84 BRD4 (0.56) MEN1KMT2AALDH1A1POLBMAPK1

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