SCHEMBL25522440

SCHEMBL25522440

CC(C)c1c(O)cc(-c2cc(F)c3cnc(N)cc3c2)cc1O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 13/20 0.37
▸ ALOX5AP P20292 12/20 0.37
▸ TLR9 Q9NR96 2/20 0.36
▸ TLR8 Q9NR97 2/20 0.36
▸ TLR7 Q9NYK1 2/20 0.36
▸ ABL1 P00519 1/20 0.33
▸ VRK1 Q99986 1/20 0.33
▸ WNT1 P04628 2/20 0.32
▸ GSK3B P49841 2/20 0.32
▸ DYRK1A Q13627 2/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32

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
SCHEMBL25522348 0.96 FEN1 (0.36) FEN1ALOX5APTLR9TLR8TLR7
SCHEMBL25520074 0.80 RPS6KA3 (0.36) FEN1ALOX5APVRK1
SCHEMBL25521661 0.78 PDPK1 (0.41) TLR9TLR8TLR7ABL1DYRK1A
SCHEMBL25520068 0.77 RPS6KA3 (0.45) ESR1ESR2
SCHEMBL25522341 0.76 RPS6KA3 (0.36) FEN1ALOX5APTLR9TLR8TLR7
SCHEMBL25522438 0.76 CYBB (0.34) FEN1ALOX5APTLR9TLR8TLR7
SCHEMBL25520955 0.75 EIF4A3 (0.36) FEN1ALOX5APTLR9TLR8TLR7
SCHEMBL25522333 0.73 RPS6KA3 (0.44) ESR1ESR2
SCHEMBL25523362 0.72 VRK1 (0.35) VRK1
SCHEMBL25522346 0.72 CYBB (0.34) FEN1ALOX5APTLR9TLR8TLR7

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-2023086428-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2023-05-19 — — WO disclosed
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