SCHEMBL10000441

SCHEMBL10000441

COc1ccc(C(C)(C)c2ccc(Oc3ccc4c(c3)C(=O)N(c3cccc(N5C(=O)c6ccc(C#Cc7ccccc7)cc6C5=O)c3)C4=O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 4/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
MCHR1 Q99705 1/20 0.44
HTT P42858 1/20 0.44
BRD4 O60885 1/20 0.41
LPAR1 Q92633 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40
ESR1 P03372 1/20 0.40
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
NR1H3 Q13133 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 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
SCHEMBL14114060 0.98 MEN1 (0.48) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL10000526 0.94 BRD4 (0.47) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL10000520 0.91 MEN1 (0.52) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL10000439 0.90 MEN1 (0.47) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL14259658 0.90 MEN1 (0.50) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL14678618 0.89 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL22566814 0.88 KMT2A (0.46) KMT2AMEN1POLBMCHR1HTT
SCHEMBL10000447 0.87 MEN1 (0.54) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL14453124 0.85 MCHR1 (0.42) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL14678624 0.84 MEN1 (0.46) KMT2AMEN1ALDH1A1MAPTPOLB

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 4 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