SCHEMBL16424991

SCHEMBL16424991

c1ccc(-n2ncc3c4[nH]c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5c4ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NR3C1 P04150 1/20 0.37
▸ KHK P50053 5/20 0.35
▸ CYP17A1 P05093 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HPGD P15428 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ AXL P30530 2/20 0.33
▸ RIOK2 Q9BVS4 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NT5E P21589 1/20 0.31
▸ CCR1 P32246 1/20 0.31
▸ TP53 P04637 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
SCHEMBL16424986 0.97 KDM4E (0.39) KDM4EATML3MBTL1NR3C1KHK
SCHEMBL16425058 0.90 KDM4E (0.39) KDM4EATML3MBTL1NR3C1KHK
SCHEMBL16424981 0.88 NR3C1 (0.38) KDM4EL3MBTL1NR3C1KHKCYP17A1
SCHEMBL16425021 0.84 NR3C1 (0.54) NR3C1KHKCYP17A1CYP1A2HPGD
SCHEMBL24037042 0.81 L3MBTL1 (0.51) KDM4EATML3MBTL1HPGDHTT
SCHEMBL263361 0.81 L3MBTL1 (0.55) KDM4EATML3MBTL1HPGDHTT
SCHEMBL19500812 0.80 KDM4E (0.50) KDM4EATML3MBTL1HPGDHTT
SCHEMBL15811036 0.80 KIF11 (0.46) KDM4EATML3MBTL1CYP17A1CYP1A2
SCHEMBL19213875 0.80 KIF11 (0.49) KDM4EATML3MBTL1HPGDHTT
SCHEMBL16171588 0.79 KDM4E (0.47) KDM4EATML3MBTL1HPGDHTT

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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