SCHEMBL12435997

SCHEMBL12435997

c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
RAB9A P51151 1/20 0.67
ASIC3 Q9UHC3 1/20 0.50
HPGD P15428 3/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ESR1 P03372 4/20 0.43
ESR2 Q92731 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ACHE P22303 3/20 0.40
ADORA2A P29274 2/20 0.38
AURKA O14965 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PRKACA P17612 1/20 0.38

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
SCHEMBL12436890 0.96 MEN1 (0.61) MEN1KMT2ARAB9AASIC3HPGD
SCHEMBL12345158 0.96 MEN1 (0.73) MEN1KMT2ARAB9AASIC3HPGD
SCHEMBL10023292 0.88 MEN1 (0.52) MEN1KMT2ARAB9AASIC3HPGD
SCHEMBL19253886 0.86 MEN1 (0.59) MEN1KMT2ARAB9AASIC3HPGD
SCHEMBL4900548 0.85 MEN1 (0.57) MEN1KMT2ARAB9AASIC3HPGD
SCHEMBL12436968 0.84 MEN1 (0.52) MEN1KMT2ARAB9AASIC3HPGD
SCHEMBL16303035 0.83 KDM4E (0.62) MEN1KMT2ARAB9AHPGDMAPT
SCHEMBL10300922 0.83 MEN1 (0.55) MEN1KMT2ARAB9AASIC3HPGD
SCHEMBL12436964 0.83 CYP1A1 (0.47) MEN1KMT2ARAB9AHPGDMAPT
SCHEMBL12436209 0.83 CYP1A1 (0.47) MEN1KMT2ARAB9AHPGDMAPT

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