SCHEMBL12414832

SCHEMBL12414832

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
HIF1A Q16665 6/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
AR P10275 1/20 0.36
SCN2A Q99250 2/20 0.35
GSR P00390 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAOB P27338 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL2815990 0.97 GAA (0.40) MEN1KMT2AGAAHIF1AALDH1A1
SCHEMBL13407149 0.97 GAA (0.40) MEN1KMT2AGAAHIF1AALDH1A1
SCHEMBL12377559 0.88 MEN1 (0.47) MEN1KMT2AGAAHIF1AALDH1A1
SCHEMBL784975 0.84 GAA (0.50) MEN1KMT2AGAAHIF1AALDH1A1
SCHEMBL784945 0.84 GAA (0.50) MEN1KMT2AGAAHIF1AALDH1A1
SCHEMBL784941 0.84 GAA (0.50) MEN1KMT2AGAAHIF1AALDH1A1
SCHEMBL14493851 0.84 GAA (0.50) MEN1KMT2AGAAHIF1AALDH1A1
SCHEMBL10188635 0.82 GSR (0.39) MEN1KMT2AGAAHIF1AALDH1A1
SCHEMBL9912714 0.80 EGFR (0.32) GSR
SCHEMBL14468733 0.80 GAA (0.40) MEN1KMT2AGAAALDH1A1MAPT

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