SCHEMBL29128461

SCHEMBL29128461

O=c1[nH]cc(CSCCOc2ccc(SCc3ccccc3)cc2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.46
▸ PPARG P37231 2/20 0.41
▸ PPARA Q07869 2/20 0.41
▸ DAO P14920 4/20 0.41
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAOA P21397 2/20 0.37
▸ MAOB P27338 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ PLA2G2A P14555 1/20 0.37
▸ PLA2G4B P0C869 1/20 0.36
▸ PLA2G4A P47712 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL29128229 0.86 LTA4H (0.46) LTA4HPPARGPPARADAOMEN1
SCHEMBL30799869 0.81 LTA4H (0.41) LTA4HDAOMEN1KMT2AMAOA
SCHEMBL29128546 0.80 KCNA3 (0.41) MAOBALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL29128178 0.79 KDM4E (0.37) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL29128529 0.77 DAO (0.50) DAOMEN1KMT2AALDH1A1KDM4E
SCHEMBL29128495 0.76 LMNA (0.50) ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL30799962 0.76 LMNA (0.50) ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL29128207 0.76 RAB9A (0.45) DAOMEN1KMT2AALDH1A1KDM4E
SCHEMBL10441183 0.74 LTA4H (0.68) LTA4HPPARGPPARAMEN1KMT2A
SCHEMBL30800062 0.74 CYP1A2 (0.32) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2

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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