SCHEMBL16424986

SCHEMBL16424986

c1ccc(-n2ncc3c4[nH]c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c4ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 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
▸ AXL P30530 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ RIOK2 Q9BVS4 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPY5R Q15761 3/20 0.32
▸ PTGER4 P35408 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CCR1 P32246 1/20 0.32
▸ GSK3B P49841 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
SCHEMBL16424991 0.97 KDM4E (0.38) KDM4EATML3MBTL1NR3C1CYP17A1
SCHEMBL16425058 0.94 KDM4E (0.39) KDM4EATML3MBTL1NR3C1CYP17A1
SCHEMBL16424981 0.91 NR3C1 (0.38) KDM4EL3MBTL1NR3C1CYP17A1CYP1A2
SCHEMBL16425021 0.85 NR3C1 (0.54) NR3C1CYP17A1CYP1A2KHKAXL
SCHEMBL19213875 0.83 KIF11 (0.49) KDM4EATML3MBTL1HPGDHTT
SCHEMBL13330579 0.82 L3MBTL1 (0.55) KDM4EATML3MBTL1HPGDHTT
SCHEMBL24027680 0.82 KDM4E (0.45) KDM4EATML3MBTL1HPGDHTT
SCHEMBL16425027 0.82 KDM4E (0.45) KDM4EATML3MBTL1NR3C1CYP17A1
SCHEMBL15750274 0.81 KDM4E (0.42) KDM4EATML3MBTL1HPGDHTT
SCHEMBL16425008 0.81 NR3C1 (0.43) KDM4EATML3MBTL1NR3C1CYP17A1

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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