SCHEMBL12436890

SCHEMBL12436890

c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)n4)c4ccccc34)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
RAB9A P51151 3/20 0.61
KMT2A Q03164 3/20 0.61
ASIC3 Q9UHC3 1/20 0.47
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DHODH Q02127 1/20 0.40
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
NFKB1 P19838 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
SCHEMBL12435997 0.96 MEN1 (0.67) MEN1RAB9AKMT2AASIC3MAPT
SCHEMBL12345158 0.92 MEN1 (0.73) MEN1RAB9AKMT2AASIC3MAPT
SCHEMBL10023292 0.92 MEN1 (0.52) MEN1RAB9AKMT2AASIC3MAPT
SCHEMBL10300922 0.87 MEN1 (0.55) MEN1RAB9AKMT2AASIC3MAPT
SCHEMBL12436964 0.87 CYP1A1 (0.47) MEN1RAB9AKMT2AMAPTALDH1A1
SCHEMBL12436209 0.87 CYP1A1 (0.47) MEN1RAB9AKMT2AMAPTALDH1A1
SCHEMBL10353579 0.86 MEN1 (0.53) MEN1RAB9AKMT2AASIC3MAPT
SCHEMBL4900548 0.85 MEN1 (0.57) MEN1RAB9AKMT2AASIC3MAPT
SCHEMBL10300970 0.85 MEN1 (0.57) MEN1RAB9AKMT2AASIC3MAPT
SCHEMBL12436968 0.84 MEN1 (0.52) MEN1RAB9AKMT2AASIC3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011037380-A9 NOVEL ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2011-08-04 WO disclosed
WO-2011037380-A2 NOVEL ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2011-03-31 WO disclosed