SCHEMBL25522342

SCHEMBL25522342

CC(C)c1c(O)cc(-c2ccc3c(N)ccnc3c2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 2/20 0.40
▸ SOS2 Q07890 1/20 0.40
▸ NCF1 P14598 1/20 0.35
▸ TLR8 Q9NR97 4/20 0.34
▸ TGFBR1 P36897 2/20 0.33
▸ EGFR P00533 2/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ HCK P08631 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ EPHB4 P54760 1/20 0.32
▸ PRKDC P78527 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 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
SCHEMBL25522432 0.91 NR4A2 (0.45) NR4A2SOS2NCF1TLR8TGFBR1
SCHEMBL25522336 0.86 TLR8 (0.40) TLR8TGFBR1EGFRRIPK2AAK1
SCHEMBL25520064 0.77 TLR8 (0.44) TLR8TGFBR1EGFRHSD17B10RIPK2
SCHEMBL25522346 0.76 CYBB (0.34) NCF1TLR8ALOX5APFEN1TLR9
SCHEMBL25521410 0.76 RAF1 (0.41) TLR8PIK3CATLR9TLR7RAF1
SCHEMBL25522341 0.72 RPS6KA3 (0.36) TLR8KDRPIK3CAMTORALOX5AP
SCHEMBL25522438 0.72 CYBB (0.34) NCF1TLR8ALOX5APFEN1TLR9
SCHEMBL25521679 0.71 TLR9 (0.41) TLR8TGFBR1EGFRPIK3CDABL1
SCHEMBL25521665 0.71 RPS6KA3 (0.33) —
SCHEMBL23430687 0.68 NR4A2 (0.56) NR4A2SOS2NCF1SYK

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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