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SCHEMBL16483423

SCHEMBL16483423

c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-n5c6ccncc6c6c7ccccc7c7ccccc7c65)cc4)c4cccc-3c24)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.39
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ CDC7 O00311 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ DYRK1A Q13627 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
SCHEMBL16484882 0.92 TNF (0.36) TNFCYP11B1CYP11B2DYRK1ACYP17A1
SCHEMBL16483454 0.89 TNF (0.44) TNFCYP11B1CYP11B2MAPK14CDC7
SCHEMBL16483422 0.87 TNF (0.42) TNFCYP11B1CYP11B2MAPK14CDC7
SCHEMBL16483496 0.87 TNF (0.44) TNFCDC7CDK2
SCHEMBL16483433 0.85 TNF (0.40) TNFCYP11B1CYP11B2CDC7CDK2
SCHEMBL16483151 0.85 TNF (0.44) TNFMAPK14CYP17A1CYP1A2
SCHEMBL16484873 0.85 TNF (0.38) TNFCYP11B1CYP11B2CDC7CDK2
SCHEMBL16483456 0.84 TNF (0.36) TNFCDC7CDK2
SCHEMBL16483430 0.84 TNF (0.45) TNFCYP11B1CYP11B2CDC7CDK2
SCHEMBL16483511 0.84 TNF (0.38) TNFCYP11B1CYP11B2CDC7CDK2

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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