SCHEMBL16425018

SCHEMBL16425018

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5ccc6c(cnn6-c6ccccc6)c54)c3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PGR P06401 1/20 0.36
▸ PIK3CA P42336 4/20 0.36
▸ MTOR P42345 4/20 0.36
▸ TP53 P04637 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KHK P50053 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ PTGS2 P35354 1/20 0.34

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
SCHEMBL16425011 0.94 NR3C1 (0.37) NR3C1KDM4EATML3MBTL1PGR
SCHEMBL19051633 0.94 NR3C1 (0.39) NR3C1KDM4EATML3MBTL1PGR
SCHEMBL19052201 0.94 RAC2 (0.37) NR3C1KDM4EATML3MBTL1PGR
SCHEMBL19051627 0.94 RAC2 (0.39) NR3C1KDM4EATML3MBTL1PGR
SCHEMBL15811208 0.94 NR3C1 (0.39) NR3C1KDM4EATML3MBTL1PGR
SCHEMBL15811240 0.94 PIK3CA (0.39) NR3C1KDM4EATML3MBTL1PGR
SCHEMBL15811054 0.93 NR3C1 (0.42) NR3C1PGRPIK3CAMTORTP53
SCHEMBL19052206 0.92 NR3C1 (0.37) NR3C1KDM4EATML3MBTL1PGR
SCHEMBL19052196 0.92 NR3C1 (0.39) NR3C1KDM4EATML3MBTL1PGR
SCHEMBL19051897 0.92 MAPT (0.37) NR3C1KDM4EATML3MBTL1PGR

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-2015012528-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2015-01-29 — — WO disclosed
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