SCHEMBL16614446

SCHEMBL16614446

NN(c1ccc(-c2ncncn2)cc1)c1ccc(-c2ncncn2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HSP90AA1 P07900 1/20 0.33
ADRB2 P07550 1/20 0.32

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
SCHEMBL16614441 0.92 ADRB2 (0.44) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL16614438 0.91 MAPT (0.46) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL1421973 0.81 NPC1 (0.40) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL16614445 0.80 ADRB2 (0.52) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL9804732 0.78 MAPT (0.54) MEN1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL21019109 0.78 MAPT (0.39) MEN1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL16614448 0.76 MAPT (0.47) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL28416187 0.75 ALDH1A1 (0.43) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL6565672 0.75 MEN1 (0.60) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL29054490 0.74 ALDH1A1 (0.42) MEN1NPC1MAPTRAB9AKMT2A

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-2015046982-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed