SCHEMBL16483511

SCHEMBL16483511

c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-n5c6ccncc6c6c7ccccc7ncc65)cc4)c4cccc-3c24)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.38
▸ 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 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ MAPK10 P53779 2/20 0.32
▸ PDE10A Q9Y233 1/20 0.31
▸ TLR7 Q9NYK1 2/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ GRM4 Q14833 1/20 0.31
▸ MET P08581 1/20 0.31
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 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
SCHEMBL16484886 0.92 TNF (0.35) TNFMEN1HSP90AA1MAPTKMT2A
SCHEMBL16483454 0.90 TNF (0.44) TNFMEN1HSP90AA1MAPTKMT2A
SCHEMBL16483456 0.89 TNF (0.36) TNFMEN1HSP90AA1MAPTKMT2A
SCHEMBL16483422 0.88 TNF (0.42) TNFKMT2ACDC7CDK2CYP11B1
SCHEMBL16483430 0.86 TNF (0.45) TNFMEN1HSP90AA1MAPTKMT2A
SCHEMBL16483433 0.86 TNF (0.40) TNFMEN1HSP90AA1MAPTKMT2A
SCHEMBL16483732 0.85 TLR7 (0.33) ALDH1A1NPSR1TLR7HTR2BMTNR1A
SCHEMBL16483482 0.84 TNF (0.38) TNFKMT2ACDC7CDK2CYP11B1
SCHEMBL16483423 0.84 TNF (0.39) TNFCDC7CDK2CYP11B1CYP11B2
SCHEMBL16483431 0.84 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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