SCHEMBL29125700

SCHEMBL29125700

CC(Oc1ccc(Br)c(Br)c1)SCc1n[nH]c(=O)o1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 4/20 0.40
▸ NOTUM Q6P988 5/20 0.40
▸ MTNR1A P48039 2/20 0.39
▸ SORT1 Q99523 1/20 0.39
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 1/20 0.30

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
SCHEMBL29125992 0.87 ALDH1A1 (0.44) MTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL29126046 0.83 NOTUM (0.43) MTNR1BNOTUMMTNR1ASORT1KDM4E
SCHEMBL29125890 0.82 NOTUM (0.46) MTNR1BNOTUMMTNR1ASORT1KDM4E
SCHEMBL29125875 0.81 NOTUM (0.42) MTNR1BNOTUMMTNR1ASORT1KDM4E
SCHEMBL29125749 0.80 SORT1 (0.38) MTNR1BNOTUMMTNR1ASORT1ALDH1A1
SCHEMBL29125835 0.80 NOTUM (0.36) MTNR1BNOTUMMTNR1ASORT1
SCHEMBL29125696 0.75 ALDH1A1 (0.50) MTNR1BNOTUMMTNR1ASORT1KDM4E
SCHEMBL30788512 0.75 ALDH1A1 (0.50) MTNR1BNOTUMMTNR1ASORT1KDM4E
SCHEMBL29125914 0.75 SORT1 (0.40) MTNR1BNOTUMMTNR1ASORT1KDM4E
SCHEMBL29128317 0.75 POLB (0.33) —

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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