SCHEMBL25522347

SCHEMBL25522347

CCCc1c(O)cc(-c2cc(F)c3ncccc3c2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 12/20 0.48
▸ L3MBTL1 Q9Y468 11/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAD52 P43351 1/20 0.40
▸ UBE2N P61088 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ TET3 O43151 1/20 0.38
▸ TET2 Q6N021 1/20 0.38
▸ TET1 Q8NFU7 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ KDM4B O94953 1/20 0.37

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
SCHEMBL25522339 0.79 KDM4E (0.40) KDM4EL3MBTL1RAB9ANPC1
SCHEMBL25522334 0.78 KDM4E (0.35) KDM4E
SCHEMBL25523414 0.77 KDM4E (0.51) KDM4EL3MBTL1RAB9ANPC1RAD52
SCHEMBL25522331 0.76 L3MBTL1 (0.50) KDM4EL3MBTL1RAB9ANPC1RAD52
SCHEMBL25522344 0.76 CASR (0.36) —
SCHEMBL25522349 0.74 ESR1 (0.36) KDM4EL3MBTL1RAB9ANPC1
SCHEMBL25521795 0.73 KDM4E (0.48) KDM4EL3MBTL1RAB9ANPC1RAD52
SCHEMBL25522332 0.73 ERN1 (0.43) KDM4EL3MBTL1TRPV1
SCHEMBL1148845 0.72 HRH1 (0.44) TRPV1
SCHEMBL28275870 0.71 L3MBTL1 (0.66) KDM4EL3MBTL1RAB9ANPC1ADORA3

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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