SCHEMBL16483744

SCHEMBL16483744

c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccncc87)cc6c5c4)c4cccc-3c24)cc1

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.31
▸ TNF P01375 1/20 0.31
▸ DYRK1A Q13627 2/20 0.31
▸ GSK3B P49841 2/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ BTK Q06187 1/20 0.30
▸ CCNE2 O96020 1/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ CCNB1 P14635 1/20 0.30
▸ CCNE1 P24864 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CDK5 Q00535 1/20 0.30
▸ CDK5R1 Q15078 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
SCHEMBL16483728 0.90 KDM4E (0.35) ALOX5TNFDYRK1AGSK3BKCNH2
SCHEMBL16484857 0.87 TNF (0.39) ALOX5TNFDYRK1AKCNH2
SCHEMBL16484885 0.86 TNF (0.35) ALOX5TNFDYRK1AGSK3BKCNH2
SCHEMBL16484912 0.85 TNF (0.41) ALOX5TNFDYRK1AGSK3BKCNH2
SCHEMBL16484870 0.85 TNF (0.36) ALOX5TNFDYRK1AGSK3BKCNH2
SCHEMBL16484909 0.84 TNF (0.37) ALOX5TNFDYRK1AGSK3BKCNH2
SCHEMBL10041356 0.84 PGR (0.38) DYRK1AKCNH2PIK3CDPIK3CAPIK3CB
SCHEMBL2628337 0.84 PLA2G2A (0.37) DYRK1APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16483433 0.83 TNF (0.40) ALOX5TNFDYRK1AKCNH2CDK2
SCHEMBL2628338 0.82 BTK (0.38) DYRK1AGSK3BKCNH2PIK3CDPIK3CA

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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