SCHEMBL16483083

SCHEMBL16483083

c1cnc2ccc(-c3cc(-c4ccc5ncccc5c4)cc(-c4ccc5ccc6c(-c7cccc8cnccc78)ccc7ccc4c5c76)c3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ IKBKE Q14164 1/20 0.44
▸ TBK1 Q9UHD2 1/20 0.44
▸ DYRK1A Q13627 1/20 0.43
▸ PIK3CA P42336 2/20 0.39
▸ CCNC P24863 2/20 0.39
▸ CDK8 P49336 2/20 0.39
▸ TP53 P04637 2/20 0.38
▸ PSMD14 O00487 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ PIK3CD O00329 2/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ MCL1 Q07820 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36

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
SCHEMBL16483076 0.95 POLB (0.46) POLBNPC1RAB9AIKBKETBK1
SCHEMBL16483101 0.94 POLB (0.48) POLBNPC1RAB9AIKBKETBK1
SCHEMBL16483626 0.92 IKBKE (0.44) POLBNPC1RAB9AIKBKETBK1
SCHEMBL16483470 0.87 IKBKE (0.49) IKBKETBK1DYRK1APIK3CAERN1
SCHEMBL16483068 0.87 IKBKE (0.49) IKBKETBK1DYRK1APIK3CAERN1
SCHEMBL16483069 0.87 IKBKE (0.43) IKBKETBK1PIK3CACCNCCDK8
SCHEMBL16484799 0.86 NPC1 (0.49) POLBNPC1RAB9ADYRK1APIK3CA
SCHEMBL16483499 0.86 POLB (0.51) POLBNPC1RAB9ADYRK1ATP53
SCHEMBL16483771 0.86 POLB (0.51) POLBNPC1RAB9ADYRK1ATP53
SCHEMBL16483270 0.86 NPC1 (0.51) POLBNPC1RAB9ADYRK1APIK3CA

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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