SCHEMBL16483101

SCHEMBL16483101

c1cnc2ccc(-c3ccc(-c4ccc5ccc6c(-c7cccc8cnccc78)ccc7ccc4c5c76)cc3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ IKBKE Q14164 1/20 0.44
▸ TBK1 Q9UHD2 1/20 0.44
▸ PIK3CA P42336 4/20 0.42
▸ DYRK1A Q13627 1/20 0.41
▸ CCNC P24863 2/20 0.39
▸ CDK8 P49336 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ PSMD14 O00487 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ PIK3CD O00329 2/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ PDGFRB P09619 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ TNF P01375 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL16483083 0.94 POLB (0.47) POLBNPC1RAB9AIKBKETBK1
SCHEMBL16483076 0.92 POLB (0.46) POLBNPC1RAB9AIKBKETBK1
SCHEMBL16483102 0.89 NPC1 (0.48) POLBNPC1RAB9APIK3CADYRK1A
SCHEMBL16483420 0.87 NPC1 (0.57) POLBNPC1RAB9APIK3CADYRK1A
SCHEMBL13682493 0.87 POLB (0.60) POLBNPC1RAB9APIK3CADYRK1A
SCHEMBL16483626 0.86 IKBKE (0.44) POLBNPC1RAB9AIKBKETBK1
SCHEMBL16483498 0.86 TNF (0.51) POLBNPC1RAB9APIK3CADYRK1A
SCHEMBL16483453 0.86 NPC1 (0.53) POLBNPC1RAB9APIK3CADYRK1A
SCHEMBL16483642 0.86 POLB (0.53) POLBNPC1RAB9APIK3CADYRK1A
SCHEMBL16483536 0.85 POLB (0.62) POLBNPC1RAB9APIK3CADYRK1A

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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