SCHEMBL17033422

SCHEMBL17033422

COc1ccc(-c2nc(-c3ccc(O)cc3)nc(-n3c4ccccc4c4cc5cc6c7ccccc7c7ccccc7n6c5cc43)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.39
ALK Q9UM73 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAD51 Q06609 1/20 0.36
TSPO P30536 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
TP53 P04637 2/20 0.36
SYK P43405 1/20 0.35
IDH1 O75874 1/20 0.35
ESR2 Q92731 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL17033534 0.92 CYP1A1 (0.40) MAPTL3MBTL1MEN1KMT2ANPC1
SCHEMBL17033860 0.86 MAPT (0.41) MAPTL3MBTL1GAAMAPK1ALK
SCHEMBL17033412 0.83 KDM4E (0.34) MAPTL3MBTL1MEN1KMT2ATSPO
SCHEMBL17033607 0.83 KDM4E (0.36) MAPTL3MBTL1GAAMEN1KMT2A
SCHEMBL17033402 0.81 CNR2 (0.33) MAPTMAPK1MEN1KMT2ANPC1
SCHEMBL17033682 0.81 CYP1A1 (0.40) MAPTL3MBTL1MEN1KMT2ACYP1A1
SCHEMBL17033505 0.79 NPY5R (0.35) MAPTL3MBTL1MEN1KMT2ATSPO
SCHEMBL17033458 0.79 KDM4E (0.34) MAPTL3MBTL1GAAMEN1KMT2A
SCHEMBL16066966 0.78 FLT3 (0.43) MAPTL3MBTL1NPC1CYP1A1CYP1A2
SCHEMBL17033754 0.78 CYP1A1 (0.39) MAPTL3MBTL1MEN1KMT2ATSPO

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
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed