SCHEMBL16425048

SCHEMBL16425048

c1ccc(-c2cccc(-n3ncc4c3ccc3c5cc(-c6ccc7c8ccc9c(ccn9-c9ccccc9)c8n(-c8ccccc8)c7c6)ccc5n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c34)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 4/20 0.36
▸ RAC2 P15153 1/20 0.32
▸ RAC3 P60763 1/20 0.32
▸ CDC42 P60953 1/20 0.32
▸ RAC1 P63000 1/20 0.32
▸ CCR1 P32246 1/20 0.32
▸ PGR P06401 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TP53 P04637 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ KHK P50053 2/20 0.31
▸ CYP17A1 P05093 1/20 0.31
▸ CYP1A2 P05177 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
SCHEMBL19051864 0.88 NR3C1 (0.39) NR3C1RAC2RAC3CDC42RAC1
SCHEMBL16425047 0.88 NR3C1 (0.37) NR3C1PGRTP53MAPTKHK
SCHEMBL16425043 0.87 CYP17A1 (0.36) NR3C1CCR1PGRKDM4EATM
SCHEMBL16425055 0.87 NR3C1 (0.38) NR3C1CCR1PGRTP53MAPT
SCHEMBL16424918 0.86 CYP17A1 (0.39) NR3C1RAC2RAC3CDC42RAC1
SCHEMBL19052214 0.86 NR3C1 (0.39) NR3C1RAC2RAC3CDC42RAC1
SCHEMBL17015711 0.85 KDM4E (0.39) NR3C1KDM4EATML3MBTL1KHK
SCHEMBL17015710 0.85 KDM4E (0.39) NR3C1KDM4EATML3MBTL1
SCHEMBL17015708 0.85 KDM4E (0.39) NR3C1KDM4EATML3MBTL1
SCHEMBL17016182 0.85 L3MBTL1 (0.44) NR3C1KDM4EATML3MBTL1MAPT

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
Send feedback