SCHEMBL19052196

SCHEMBL19052196

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccc(-n7ncc8c7ccc7c9ccccc9n(-c9ccccc9)c78)cc65)c4)n3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 4/20 0.39
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PGR P06401 2/20 0.35
▸ PIK3CA P42336 4/20 0.35
▸ MTOR P42345 4/20 0.35
▸ CYP17A1 P05093 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ RAC2 P15153 1/20 0.33
▸ RAC3 P60763 1/20 0.33
▸ CDC42 P60953 1/20 0.33
▸ RAC1 P63000 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ PTGS2 P35354 1/20 0.33

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
SCHEMBL19051897 0.98 MAPT (0.37) NR3C1MAPTTP53KDM4EATM
SCHEMBL19051633 0.96 NR3C1 (0.39) NR3C1MAPTTP53KDM4EATM
SCHEMBL19052206 0.96 NR3C1 (0.37) NR3C1MAPTTP53KDM4EATM
SCHEMBL19051619 0.95 NR3C1 (0.40) NR3C1MAPTTP53KDM4EATM
SCHEMBL19051627 0.94 RAC2 (0.39) NR3C1MAPTTP53KDM4EATM
SCHEMBL19052201 0.92 RAC2 (0.37) NR3C1MAPTTP53KDM4EATM
SCHEMBL16425018 0.92 NR3C1 (0.38) NR3C1MAPTTP53KDM4EATM
SCHEMBL15811174 0.92 NR3C1 (0.45) NR3C1MAPTTP53KDM4EATM
SCHEMBL15811240 0.92 PIK3CA (0.39) NR3C1MAPTTP53KDM4EATM
SCHEMBL19051622 0.91 NR3C1 (0.40) NR3C1MAPTTP53KDM4EATM

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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