SCHEMBL16483682

SCHEMBL16483682

c1ccc(-n2c3ccc(-c4cccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)cc3c3ccc4ccncc4c32)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 3/20 0.42
▸ MAPK10 P53779 1/20 0.35
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ TDO2 P48775 2/20 0.32
▸ TLR4 O00206 1/20 0.32
▸ NTSR1 P30989 1/20 0.31
▸ CYP17A1 P05093 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ ALOX5 P09917 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TOP2A P11388 1/20 0.30
▸ DGAT2 Q96PD7 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
SCHEMBL16483144 0.97 TNF (0.41) TNFMAPK10PIK3CDPIK3CBPIK3CG
SCHEMBL16483551 0.95 TNF (0.43) TNFMAPK10PIK3CDPIK3CBPIK3CG
SCHEMBL16483671 0.92 NTSR1 (0.36) TNFPIK3CDPIK3CBPIK3CGMAPT
SCHEMBL16483146 0.89 NTSR1 (0.36) TNFPIK3CDPIK3CBPIK3CGMAPT
SCHEMBL17341522 0.89 TLR4 (0.34) MAPTTLR4NTSR1KMT2A
SCHEMBL16483673 0.88 TNF (0.43) TNFMAPK10PIK3CDPIK3CBPIK3CG
SCHEMBL16483584 0.88 TNF (0.42) TNFMAPK10PIK3CDPIK3CBPIK3CG
SCHEMBL16483567 0.87 TNF (0.35) TNFPIK3CDPIK3CBPIK3CGMAPT
SCHEMBL16483658 0.87 TNF (0.39) TNFMAPTNTSR1CYP17A1CYP1A2
SCHEMBL16483859 0.86 TNF (0.37) TNFMAPK10PIK3CDPIK3CBPIK3CG

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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