SCHEMBL17740587

SCHEMBL17740587

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c4oc5ccccc5c4c3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 3/20 0.39
▸ PLA2G2A P14555 5/20 0.37
▸ PLA2G4A P47712 5/20 0.37
▸ ALOX5 P09917 2/20 0.37
▸ TNKS O95271 2/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ ABCB1 P08183 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ ADORA3 P0DMS8 2/20 0.36
▸ AR P10275 2/20 0.36
▸ CYP1B1 Q16678 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ ABCG2 Q9UNQ0 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL24088316 0.99 AHR (0.38) AHRPLA2G2APLA2G4AALOX5TNKS
SCHEMBL21936763 0.91 AHR (0.42) AHRALOX5TNKSCA12CA1
SCHEMBL24088346 0.90 AHR (0.33) AHRPLA2G2APLA2G4AALOX5TNKS
SCHEMBL23871103 0.90 PLA2G2A (0.33) PLA2G2APLA2G4ATNKSTP53CYP3A4
SCHEMBL29312239 0.90 PLA2G2A (0.40) AHRPLA2G2APLA2G4AALOX5TNKS
SCHEMBL19606982 0.90 PLA2G2A (0.40) AHRPLA2G2APLA2G4AALOX5TNKS
SCHEMBL29312226 0.90 PLA2G2A (0.40) AHRPLA2G2APLA2G4AALOX5TNKS
SCHEMBL29312197 0.90 PLA2G2A (0.40) AHRPLA2G2APLA2G4AALOX5TNKS
SCHEMBL24088293 0.90 AHR (0.40) AHRPLA2G2APLA2G4AALOX5TNKS
SCHEMBL29312241 0.89 PLA2G2A (0.40) AHRPLA2G2APLA2G4AALOX5TNKS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021162384-A1 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-08-19 — — WO disclosed
WO-2016072691-A1 ORGANIC ELECTRONIC DEVICE AND DISPLAY DEVICE USING COMPOSITION FOR ORGANIC ELECTRONIC DEVICE 덕산네오룩스 주식회사 2016-05-12 — — WO disclosed
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