SCHEMBL25522344

SCHEMBL25522344

CCCc1c(O)cc(-c2cccc3cc(F)c(O)nc23)cc1F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 2/20 0.36
▸ GCGR P47871 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ ACVRL1 P37023 1/20 0.31
▸ JUN P05412 1/20 0.31
▸ HSD17B1 P14061 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31
▸ LTB4R Q15722 2/20 0.31
▸ LTB4R2 Q9NPC1 2/20 0.31
▸ CRHR1 P34998 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SREBF2 Q12772 1/20 0.30
▸ CD274 Q9NZQ7 1/20 0.30
▸ PPARG P37231 1/20 0.30

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
SCHEMBL25522217 0.77 RPS6KA3 (0.35) CASRGCGRHSD17B1HSD17B2
SCHEMBL25523412 0.76 AHR (0.35) CASRHSD17B1HSD17B2MEN1KMT2A
SCHEMBL25522347 0.76 KDM4E (0.48) —
SCHEMBL25522339 0.73 KDM4E (0.40) HSD17B1HSD17B2
SCHEMBL25521794 0.70 KDM4E (0.39) HSD17B1HSD17B2
SCHEMBL25522334 0.69 KDM4E (0.35) GCGR
SCHEMBL25520946 0.68 GABRA1 (0.44) MEN1KMT2A
SCHEMBL13614862 0.67 PTPRC (0.40) GCGRCD274
SCHEMBL7706281 0.65 TAAR1 (0.38) CASRCNR1CNR2JUNLTB4R
SCHEMBL27822821 0.64 KDM4E (0.45) —

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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