SCHEMBL12377559

SCHEMBL12377559

CC(C)(C)c1cc(CNc2ccc(Nc3cccc(Nc4ccc(Nc5ccccc5)cc4)c3)cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 3/20 0.47
GSR P00390 2/20 0.44
SCN2A Q99250 2/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
AR P10275 1/20 0.43
HIF1A Q16665 5/20 0.42
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
BLM P54132 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL14493851 0.96 GAA (0.50) MEN1KMT2AGAAGSRSCN2A
SCHEMBL784941 0.96 GAA (0.50) MEN1KMT2AGAAGSRSCN2A
SCHEMBL784975 0.96 GAA (0.50) MEN1KMT2AGAAGSRSCN2A
SCHEMBL784945 0.96 GAA (0.50) MEN1KMT2AGAAGSRSCN2A
SCHEMBL29015812 0.90 GSR (0.53) MEN1KMT2AGAAGSRSCN2A
SCHEMBL12414832 0.88 MEN1 (0.38) MEN1KMT2AGAAGSRSCN2A
SCHEMBL2741253 0.88 MEN1 (0.43) MEN1KMT2AGAAGSRSCN2A
SCHEMBL16471746 0.88 GAA (0.46) MEN1KMT2AGAAGSRSCN2A
SCHEMBL2783560 0.88 MEN1 (0.43) MEN1KMT2AGAAGSRSCN2A
SCHEMBL2783563 0.88 MEN1 (0.43) MEN1KMT2AGAAGSRSCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008423-B2 Stabilized polyolefin compositions POLNOX CORPORATION (US) 2011-08-30 US disclosed