SCHEMBL16484867

SCHEMBL16484867

c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-n5c6cnccc6c6nc7ccccc7cc65)cc4)c4cccc-3c24)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.37
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ PDE10A Q9Y233 3/20 0.31
▸ HASPIN Q8TF76 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CDK6 Q00534 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ G6PD P11413 1/20 0.30
▸ NTSR1 P30989 1/20 0.30
▸ DGAT2 Q96PD7 1/20 0.30
▸ ALK Q9UM73 1/20 0.30
▸ PIK3CD O00329 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
SCHEMBL16483485 0.93 TNF (0.40) TNFMAPTMEN1HSP90AA1KMT2A
SCHEMBL16483717 0.91 KDM4E (0.36) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL16484905 0.87 TNF (0.40) TNFMAPTMEN1HSP90AA1KMT2A
SCHEMBL16484912 0.86 TNF (0.41) TNFMAPTMEN1HSP90AA1KMT2A
SCHEMBL16484857 0.84 TNF (0.39) TNFKMT2AKDM4EL3MBTL1DYRK1A
SCHEMBL16484886 0.83 TNF (0.35) TNFMAPTMEN1HSP90AA1KMT2A
SCHEMBL16484883 0.83 TNF (0.43) TNFMAPTMEN1HSP90AA1KMT2A
SCHEMBL16483715 0.83 TNF (0.35) TNFKDM4EDYRK1ACDK4CDK6
SCHEMBL16484933 0.83 TNF (0.37) TNFMAPTALDH1A1KDM4EDYRK1A
SCHEMBL16483433 0.83 TNF (0.40) TNFMAPTMEN1HSP90AA1KMT2A

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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