SCHEMBL21365654

SCHEMBL21365654

C=Cc1c(/C=C(\C)c2ccc3oc4ccc(-c5ccc6oc7ccccc7c6c5)cc4c3c2)c2ccccc2n1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT1 P54687 4/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ BTK Q06187 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ PLA2G2A P14555 1/20 0.33
▸ PLA2G4A P47712 1/20 0.33
▸ CHEK2 O96017 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ TTR P02766 1/20 0.32
▸ IDO1 P14902 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ EDNRA P25101 2/20 0.31
▸ PTGER4 P35408 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
SCHEMBL19954027 0.86 KDM4E (0.35) L3MBTL1EDNRAPTGER4EDNRB
SCHEMBL25691288 0.85 L3MBTL1 (0.32) L3MBTL1EDNRA
SCHEMBL18649234 0.85 AKR1C4 (0.34) L3MBTL1EDNRAPTGER4EDNRB
SCHEMBL23251381 0.84 BCAT1 (0.31) BCAT1NPC1RAB9ACHEK2
SCHEMBL18649243 0.83 KDM4E (0.35) L3MBTL1EDNRAPTGER4EDNRB
SCHEMBL23077743 0.81 — —
SCHEMBL20215703 0.81 NPC1 (0.33) BCAT1NPC1RAB9AIDO1
SCHEMBL23714437 0.81 KDM4E (0.39) L3MBTL1EDNRAPTGER4EDNRB
SCHEMBL21982568 0.80 MAPT (0.37) L3MBTL1
SCHEMBL25691348 0.80 PTGER4 (0.33) PTGER4

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-2019176605-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 日鉄ケミカル&マテリアル株式会社 2019-09-19 — — WO disclosed
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