SCHEMBL16483495

SCHEMBL16483495

c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-n5c6ccncc6c6cc7ccccc7cc65)cc4)c4cccc-3c24)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 3/20 0.43
▸ HASPIN Q8TF76 1/20 0.38
▸ ALOX5 P09917 1/20 0.33
▸ TDO2 P48775 1/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ MAPK9 P45984 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ DGAT2 Q96PD7 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TOP2A P11388 1/20 0.31

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
SCHEMBL16484905 0.92 TNF (0.40) TNFHASPINALOX5TDO2PIK3CD
SCHEMBL16483454 0.92 TNF (0.44) TNFALOX5CDC7CDK2MEN1
SCHEMBL16483153 0.91 HASPIN (0.44) TNFHASPINALOX5TDO2PIK3CD
SCHEMBL16484873 0.91 TNF (0.38) TNFALOX5CDC7CDK2
SCHEMBL16483431 0.90 TNF (0.39) TNFHASPINALOX5CDC7CDK2
SCHEMBL16483422 0.90 TNF (0.42) TNFALOX5CDC7CDK2KMT2A
SCHEMBL16483433 0.88 TNF (0.40) TNFALOX5CDC7CDK2DGAT2
SCHEMBL16483479 0.87 PIK3CA (0.39) TNFMAPT
SCHEMBL16483432 0.87 MAPK9 (0.38) TNFTDO2PIK3CDPIK3CBPIK3CG
SCHEMBL16483480 0.87 TNF (0.40) TNFALOX5CDC7CDK2KMT2A

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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