SCHEMBL19051652

SCHEMBL19051652

c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6cccc(-n7ncc8c7ccc7c9ccccc9n(-c9ccccc9)c78)c65)cc4)nc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 2/20 0.37
▸ MAPT P10636 5/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PTGS2 P35354 2/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ NTSR1 P30989 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ PIK3CA P42336 3/20 0.33
▸ MTOR P42345 3/20 0.33
▸ PGR P06401 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ CYP17A1 P05093 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31

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
SCHEMBL19051646 0.93 MAPT (0.34) NR3C1MAPTTP53PTGS2MEN1
SCHEMBL16918822 0.92 NR3C1 (0.41) NR3C1MAPTTP53PTGS2MEN1
SCHEMBL19051622 0.89 NR3C1 (0.40) NR3C1MAPTTP53PTGS2MEN1
SCHEMBL19051900 0.89 NR3C1 (0.40) NR3C1MAPTTP53PTGS2MEN1
SCHEMBL19051641 0.89 PIK3CA (0.36) NR3C1MAPTTP53PTGS2ALDH1A1
SCHEMBL19051629 0.88 KDM4E (0.35) MAPTTP53PTGS2KMT2AALDH1A1
SCHEMBL19051636 0.87 PIK3CA (0.35) NR3C1MAPTTP53PTGS2ALDH1A1
SCHEMBL16918810 0.87 MEN1 (0.36) NR3C1MAPTTP53PTGS2MEN1
SCHEMBL15811174 0.86 NR3C1 (0.45) NR3C1MAPTTP53KDM4EPIK3CA
SCHEMBL16918812 0.85 NR3C1 (0.41) NR3C1MAPTTP53PTGS2KMT2A

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-2017111360-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2017-06-29 — — WO disclosed
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