SCHEMBL30811602

SCHEMBL30811602

CC(=O)c1ccc(Oc2ccc(F)cc2Br)c(N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 1/20 0.51
▸ PKM P14618 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ USP2 O75604 2/20 0.42
▸ PRKCI P41743 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ EPAS1 Q99814 1/20 0.39
▸ MAPT P10636 2/20 0.38

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
SCHEMBL27345913 1.00 CREBBP (0.51) CREBBPPKMALDH1A1HTTL3MBTL1
SCHEMBL9658234 0.86 CREBBP (0.54) CREBBPALDH1A1HTTL3MBTL1LMNA
SCHEMBL27345904 0.83 CREBBP (0.51) CREBBPALDH1A1HTTL3MBTL1LMNA
SCHEMBL30811556 0.83 CREBBP (0.51) CREBBPALDH1A1HTTL3MBTL1LMNA
SCHEMBL29533055 0.83 EPAS1 (0.52) PKMALDH1A1HTTLMNAGAA
SCHEMBL22826881 0.83 EPAS1 (0.52) PKMALDH1A1HTTLMNAGAA
SCHEMBL27345897 0.83 CREBBP (0.48) CREBBPALDH1A1HTTL3MBTL1LMNA
SCHEMBL22158823 0.81 MAPT (0.53) PKMALDH1A1L3MBTL1LMNAGAA
Acetaldehyde SCHEMBL28708085 0.78 EPAS1 (0.48) PKMALDH1A1HTTL3MBTL1LMNA
SCHEMBL30811589 0.77 CREBBP (0.50) CREBBPPKMALDH1A1HTTL3MBTL1

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
EP-4543863-A1 FERROPTOSIS INHIBITORS AND USES THEREOF University Of Ottawa (CA) 2025-04-30 — — EP disclosed
WO-2023245297-A1 FERROPTOSIS INHIBITORS AND USES THEREOF UNIVERSITY OF OTTAWA (CA) 2023-12-28 — — WO disclosed
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