SCHEMBL16484882

SCHEMBL16484882

c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-n5c6cnccc6c6c7ccccc7c7ccccc7c65)cc4)c4cccc-3c24)cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.36
▸ DYRK1A Q13627 2/20 0.35
▸ KCNH2 Q12809 2/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ CYP17A1 P05093 2/20 0.30
▸ CYP1A2 P05177 2/20 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
SCHEMBL16483423 0.92 TNF (0.39) TNFDYRK1ACYP11B1CYP11B2CYP17A1
SCHEMBL16484912 0.89 TNF (0.41) TNFDYRK1AKCNH2CYP11B1CYP11B2
SCHEMBL16484857 0.87 TNF (0.39) TNFDYRK1AKCNH2CYP11B1CYP11B2
SCHEMBL16484935 0.87 TNF (0.42) TNFDYRK1A
SCHEMBL16483433 0.85 TNF (0.40) TNFDYRK1AKCNH2CYP11B1CYP11B2
SCHEMBL16484858 0.85 TNF (0.36) TNFDYRK1AKCNH2CYP11B1CYP11B2
SCHEMBL16484887 0.84 TNF (0.34) TNFDYRK1AKCNH2
SCHEMBL16484886 0.84 TNF (0.35) TNFDYRK1AKCNH2CYP11B1CYP11B2
SCHEMBL16484883 0.84 TNF (0.43) TNFDYRK1AKCNH2CYP11B1CYP11B2
SCHEMBL16483167 0.83 TNF (0.37) TNFDYRK1ACYP17A1CYP1A2

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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