SCHEMBL16483456

SCHEMBL16483456

c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-n5c6ccncc6c6cnc7ccccc7c65)cc4)c4cccc-3c24)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.33
▸ NPSR1 Q6W5P4 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
▸ PIK3CA P42336 1/20 0.31
▸ CDC7 O00311 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ PDE10A Q9Y233 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
SCHEMBL16484887 0.93 TNF (0.34) TNFALDH1A1NPSR1MEN1HSP90AA1
SCHEMBL16483511 0.89 TNF (0.38) TNFALDH1A1NPSR1MEN1HSP90AA1
SCHEMBL16483454 0.88 TNF (0.44) TNFMEN1HSP90AA1MAPTKMT2A
SCHEMBL16483422 0.86 TNF (0.42) TNFKMT2ACDC7CDK2
SCHEMBL16483496 0.86 TNF (0.44) TNFALDH1A1MEN1HSP90AA1MAPT
SCHEMBL16483423 0.84 TNF (0.39) TNFCDC7CDK2
SCHEMBL16483433 0.84 TNF (0.40) TNFMEN1HSP90AA1MAPTKMT2A
SCHEMBL16483481 0.83 TNF (0.38) TNFALDH1A1CDC7CDK2
SCHEMBL16484886 0.83 TNF (0.35) TNFALDH1A1NPSR1MEN1HSP90AA1
SCHEMBL16483431 0.82 TNF (0.39) TNFMEN1HSP90AA1MAPTKMT2A

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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