SCHEMBL29128292

SCHEMBL29128292

O=c1[nH]cc(COc2ccc(Br)cc2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.41
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ MAOB P27338 4/20 0.40
▸ MAOA P21397 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ FFAR1 O14842 2/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ SOD1 P00441 3/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ SIRT3 Q9NTG7 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
SCHEMBL29128393 0.83 DAO (0.50) RAB9ASOD1ALDH1A1
SCHEMBL29128450 0.80 APP (0.41) APPRXRARXRBMAOBMAOA
SCHEMBL29128526 0.80 RXRA (0.44) RXRARXRBMAOBMAOAKMT2A
SCHEMBL30799891 0.76 RAB9A (0.42) NPC1RAB9AALDH1A1
SCHEMBL29128272 0.76 RAB9A (0.42) NPC1RAB9AALDH1A1
SCHEMBL29128254 0.76 MAOB (0.39) MAOBMAOANPC1SOD1ALDH1A1
SCHEMBL30799967 0.76 MAOB (0.39) MAOBMAOANPC1SOD1ALDH1A1
SCHEMBL29128610 0.74 HTR1A (0.42) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL30800076 0.72 KDM4C (0.47) RXRARXRBMAOBMAOANPC1
SCHEMBL29128242 0.72 KDM4C (0.47) RXRARXRBMAOBMAOANPC1

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
CN-117263862-A Phenol-1, 3-oxazole/dihydroimidazole-2-ketone/thioketone compound and synthesis and application thereof 吉首大学 2023-12-22 — — CN disclosed
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