SCHEMBL16484886

SCHEMBL16484886

c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-n5c6cnccc6c6c7ccccc7ncc65)cc4)c4cccc-3c24)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.35
▸ DYRK1A Q13627 3/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ PDE10A Q9Y233 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ KCNH2 Q12809 3/20 0.31
▸ NFATC1 O95644 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CDK6 Q00534 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ GRM4 Q14833 1/20 0.31
▸ MET P08581 1/20 0.31
▸ MAPK10 P53779 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
SCHEMBL16483511 0.92 TNF (0.38) TNFMEN1HSP90AA1MAPTKMT2A
SCHEMBL16484912 0.90 TNF (0.41) TNFDYRK1AMEN1HSP90AA1MAPT
SCHEMBL16484887 0.89 TNF (0.34) TNFDYRK1AMEN1HSP90AA1MAPT
SCHEMBL16484857 0.88 TNF (0.39) TNFDYRK1AKMT2AKCNH2CDK4
SCHEMBL16484883 0.86 TNF (0.43) TNFDYRK1AMEN1HSP90AA1MAPT
SCHEMBL16483433 0.86 TNF (0.40) TNFDYRK1AMEN1HSP90AA1MAPT
SCHEMBL16483732 0.85 TLR7 (0.33) ALDH1A1NPSR1TLR7KCNH2HTR2B
SCHEMBL16483715 0.84 TNF (0.35) TNFDYRK1AKCNH2CDK4CDK6
SCHEMBL16484882 0.84 TNF (0.36) TNFDYRK1AKCNH2CYP11B1CYP11B2
SCHEMBL16483454 0.83 TNF (0.44) TNFDYRK1AMEN1HSP90AA1MAPT

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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