SCHEMBL28325441

SCHEMBL28325441

O=C(O)c1ccc(C2CC2)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 2/20 0.53
▸ NOTUM Q6P988 1/20 0.42
▸ KMO O15229 1/20 0.41
▸ DHODH Q02127 6/20 0.41
▸ IKBKE Q14164 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.39
▸ ACLY P53396 1/20 0.39
▸ ERN1 O75460 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ WDR5 P61964 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ KDM4C Q9H3R0 1/20 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
SCHEMBL28166122 0.93 ACMSD (0.58) ACMSDNOTUMKMODHODHIKBKE
SCHEMBL31414507 0.80 KDM4E (0.41) ACMSDSMN1; SMN2MAPTPOLB
SCHEMBL28822507 0.79 ACMSD (0.64) ACMSDNOTUMKMODHODHSMN1; SMN2
SCHEMBL13544473 0.78 TSHR (0.55) ACMSDNOTUMKMODHODHACLY
SCHEMBL1725857 0.78 ACMSD (0.53) ACMSDNOTUMKMODHODHIKBKE
SCHEMBL10148375 0.78 ACMSD (0.53) ACMSDNOTUMKMODHODHACLY
SCHEMBL27881571 0.76 ACMSD (0.86) ACMSDDHODHWDR5LCK
SCHEMBL29156207 0.76 ACMSD (0.69) ACMSDNOTUMKMODHODHIKBKE
SCHEMBL18284052 0.75 ACMSD (0.50) ACMSDNOTUMKMODHODHTBK1
SCHEMBL23374556 0.74 ACMSD (0.75) ACMSDKMODHODHIKBKETBK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735422-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF TREATING PHENYLKETONURIA AND OTHER AMINO ACIDURIAS Sanofi (FR) 2026-05-06 — — EP disclosed
WO-2025006827-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF TREATING PHENYLKETONURIA AND OTHER AMINO ACIDURIAS GENZYME CORPORATION (US) 2025-01-02 — — WO disclosed
CN-106061963-B Heterocyclic modulators of lipid synthesis and combinations thereof 3-V生物科学股份有限公司 2019-10-22 — — CN disclosed
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