SCHEMBL16483317

SCHEMBL16483317

c1ccc2c(c1)-c1cccc3c(-c4ccc(-n5c6ccccc6c6ccc7ccncc7c65)cc4)ccc-2c13

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 3/20 0.44
▸ DUSP3 P51452 1/20 0.34
▸ TOP2A P11388 1/20 0.33
▸ MAPK14 Q16539 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ TDO2 P48775 3/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ MAOA P21397 4/20 0.32
▸ MAOB P27338 4/20 0.32
▸ ACHE P22303 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30
▸ DHODH Q02127 1/20 0.30

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
SCHEMBL16483407 0.91 TNF (0.44) TNFMAPK14MAOAMAOBACHE
SCHEMBL16483400 0.91 TNF (0.36) TNFDUSP3MAPK14PIK3CDPIK3CB
SCHEMBL16483151 0.90 TNF (0.44) TNFDUSP3TOP2AMAPK14PIK3CD
SCHEMBL16483584 0.89 TNF (0.42) TNFDUSP3TOP2AMAPK14PIK3CD
SCHEMBL16483406 0.89 TNF (0.41) TNFPIK3CDPIK3CBPIK3CGIDO1
SCHEMBL16483551 0.89 TNF (0.43) TNFTOP2APIK3CDPIK3CBPIK3CG
SCHEMBL16483144 0.89 TNF (0.41) TNFTOP2APIK3CDPIK3CBPIK3CG
SCHEMBL16483810 0.88 TNF (0.38) TNFDUSP3TOP2ATDO2IDO1
SCHEMBL17341240 0.87 L3MBTL1 (0.36) TNFDUSP3MAPK14KDM4EATM
SCHEMBL16483682 0.86 TNF (0.42) TNFTOP2APIK3CDPIK3CBPIK3CG

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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