SCHEMBL19051897

SCHEMBL19051897

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-n6ncc7c6ccc6c8ccccc8n(-c8ccccc8)c67)cc54)c3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NR3C1 P04150 2/20 0.36
▸ PIK3CA P42336 4/20 0.36
▸ MTOR P42345 4/20 0.36
▸ CYP17A1 P05093 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ RAC2 P15153 1/20 0.34
▸ RAC3 P60763 1/20 0.34
▸ CDC42 P60953 1/20 0.34
▸ RAC1 P63000 1/20 0.34
▸ PTGS2 P35354 2/20 0.34
▸ PGR P06401 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 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
SCHEMBL19052206 0.98 NR3C1 (0.37) MAPTTP53KDM4EATML3MBTL1
SCHEMBL19052196 0.98 NR3C1 (0.39) MAPTTP53KDM4EATML3MBTL1
SCHEMBL19051627 0.96 RAC2 (0.39) MAPTTP53KDM4EATML3MBTL1
SCHEMBL19051619 0.95 NR3C1 (0.40) MAPTTP53KDM4EATML3MBTL1
SCHEMBL19052201 0.94 RAC2 (0.37) MAPTTP53KDM4EATML3MBTL1
SCHEMBL19051633 0.94 NR3C1 (0.39) MAPTTP53KDM4EATML3MBTL1
SCHEMBL15811240 0.94 PIK3CA (0.39) MAPTTP53KDM4EATML3MBTL1
SCHEMBL16425018 0.92 NR3C1 (0.38) MAPTTP53KDM4EATML3MBTL1
SCHEMBL19051614 0.92 NR3C1 (0.37) MAPTTP53KDM4EATML3MBTL1
SCHEMBL15811208 0.92 NR3C1 (0.39) MAPTTP53KDM4EATML3MBTL1

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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