SCHEMBL16484873

SCHEMBL16484873

c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-n5c6ccncc6c6cc7c8ccccc8c8ccccc8c7cc65)cc4)c4cccc-3c24)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.38
▸ ALOX5 P09917 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ CDC7 O00311 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ DYRK1A Q13627 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
SCHEMBL16483454 0.93 TNF (0.44) TNFALOX5CYP11B1CYP11B2CDC7
SCHEMBL16484858 0.92 TNF (0.36) TNFALOX5CYP11B1CYP11B2DYRK1A
SCHEMBL16483495 0.91 TNF (0.43) TNFALOX5CDC7CDK2
SCHEMBL16483431 0.91 TNF (0.39) TNFALOX5CYP11B1CYP11B2CDC7
SCHEMBL16483422 0.91 TNF (0.42) TNFALOX5CYP11B1CYP11B2CDC7
SCHEMBL16483433 0.89 TNF (0.40) TNFALOX5CYP11B1CYP11B2CDC7
SCHEMBL16483479 0.88 PIK3CA (0.39) TNFCYP11B1CYP11B2
SCHEMBL16483480 0.88 TNF (0.40) TNFALOX5CYP11B1CYP11B2CDC7
SCHEMBL16483512 0.87 TNF (0.38) TNFALOX5
SCHEMBL16483423 0.85 TNF (0.39) 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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