SCHEMBL29125835

SCHEMBL29125835

CNc1cccc(OC(C)SCc2n[nH]c(=O)o2)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 5/20 0.36
▸ SORT1 Q99523 1/20 0.36
▸ MTNR1B P49286 2/20 0.35
▸ MTNR1A P48039 1/20 0.33
▸ APP P05067 1/20 0.32
▸ IMPDH2 P12268 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ HDAC4 P56524 1/20 0.31
▸ MEF2D Q14814 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ SLC22A12 Q96S37 1/20 0.31

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
SCHEMBL29125968 0.87 ALDH1A1 (0.44) MTNR1BSMN1; SMN2
SCHEMBL29125875 0.84 NOTUM (0.42) NOTUMSORT1MTNR1BMTNR1A
SCHEMBL29126046 0.84 NOTUM (0.43) NOTUMSORT1MTNR1BMTNR1A
SCHEMBL29125700 0.80 MTNR1B (0.40) NOTUMSORT1MTNR1BMTNR1A
SCHEMBL30788498 0.78 ALDH1A1 (0.51) NOTUMMTNR1BMTNR1AAPPSMN1; SMN2
SCHEMBL29125831 0.78 ALDH1A1 (0.51) NOTUMMTNR1BMTNR1AAPPSMN1; SMN2
SCHEMBL29125805 0.77 SORT1 (0.35) NOTUMSORT1SMN1; SMN2
SCHEMBL29125890 0.76 NOTUM (0.46) NOTUMSORT1MTNR1BMTNR1A
SCHEMBL29125749 0.72 SORT1 (0.38) NOTUMSORT1MTNR1BMTNR1ASMN1; SMN2
SCHEMBL29125914 0.71 SORT1 (0.40) NOTUMSORT1MTNR1BMTNR1A

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-117247361-A Phenol-oxazolone/thioketone compound and synthetic method and application thereof 吉首大学 2023-12-19 — — CN disclosed
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