SCHEMBL16425058

SCHEMBL16425058

c1ccc(-n2ncc3c4[nH]c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5c4ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NR3C1 P04150 1/20 0.38
▸ CYP17A1 P05093 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ KHK P50053 4/20 0.34
▸ GSK3B P49841 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPY5R Q15761 3/20 0.32
▸ PTGER4 P35408 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32

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
SCHEMBL16424986 0.94 KDM4E (0.39) KDM4EATML3MBTL1NR3C1CYP17A1
SCHEMBL16424991 0.90 KDM4E (0.38) KDM4EATML3MBTL1NR3C1CYP17A1
SCHEMBL16424981 0.85 NR3C1 (0.38) KDM4EL3MBTL1NR3C1CYP17A1CYP1A2
SCHEMBL15462326 0.82 L3MBTL1 (0.55) KDM4EATML3MBTL1ALDH1A1FEN1
SCHEMBL16425027 0.82 KDM4E (0.45) KDM4EATML3MBTL1NR3C1CYP17A1
SCHEMBL15199680 0.81 L3MBTL1 (0.50) KDM4EATML3MBTL1ALDH1A1FEN1
SCHEMBL16425008 0.81 NR3C1 (0.43) KDM4EATML3MBTL1NR3C1CYP17A1
SCHEMBL15811036 0.81 KIF11 (0.46) KDM4EATML3MBTL1CYP17A1CYP1A2
SCHEMBL9891302 0.80 L3MBTL1 (0.51) KDM4EATML3MBTL1ALDH1A1FEN1
SCHEMBL29506377 0.80 L3MBTL1 (0.51) KDM4EATML3MBTL1ALDH1A1FEN1

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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