SCHEMBL16483548

SCHEMBL16483548

c1ccc(-n2c3ccncc3c3cc(-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.40
▸ PIK3CA P42336 2/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALK Q9UM73 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MAOA P21397 4/20 0.33
▸ MAOB P27338 4/20 0.33
▸ ACHE P22303 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ AOC3 Q16853 1/20 0.31
▸ 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
SCHEMBL15480172 0.96 KDM4E (0.39) TNFPIK3CADYRK1AKDM4EATM
SCHEMBL15480167 0.96 KDM4E (0.39) TNFPIK3CADYRK1AKDM4EATM
SCHEMBL16483125 0.95 TNF (0.39) TNFDYRK1AKDM4EATML3MBTL1
SCHEMBL16483658 0.94 TNF (0.39) TNFPIK3CADYRK1AKDM4EATM
SCHEMBL16483544 0.92 DYRK1A (0.40) TNFPIK3CADYRK1AKDM4EATM
SCHEMBL15480179 0.91 KDM4E (0.38) TNFPIK3CADYRK1AKDM4EATM
SCHEMBL15480173 0.91 KDM4E (0.38) TNFPIK3CADYRK1AKDM4EATM
SCHEMBL16483375 0.89 TNF (0.43) TNFDYRK1AKDM4EATML3MBTL1
SCHEMBL15480168 0.89 DYRK1A (0.39) TNFPIK3CADYRK1AKDM4EATM
SCHEMBL15480166 0.89 DYRK1A (0.39) TNFPIK3CADYRK1AKDM4EATM

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-2014057873-A1 PHOSPHINE OXIDE DERIVATIVE AND LIGHT-EMITTING ELEMENT PROVIDED WITH SAME 東レ株式会社 (JP) 2014-04-17 — — WO disclosed
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