SCHEMBL29125754

SCHEMBL29125754

CCC(Oc1ccccc1I)SCc1n[nH]c(=O)o1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SORT1 Q99523 1/20 0.35
▸ NOTUM Q6P988 5/20 0.33
▸ MTNR1B P49286 2/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL29125930 0.87 SORT1 (0.35) SORT1NOTUMMTNR1BMTNR1AALDH1A1
SCHEMBL29125915 0.86 ALDH1A1 (0.45) ALDH1A1
SCHEMBL29125920 0.83 ALDH1A1 (0.40) SORT1NOTUMMTNR1BMTNR1AALDH1A1
SCHEMBL29125770 0.82 RRM1 (0.35) SORT1NOTUMMTNR1BMTNR1A
SCHEMBL29125800 0.80 P2RX3 (0.39) SORT1NOTUMMTNR1B
SCHEMBL29125876 0.80 NOTUM (0.36) SORT1NOTUMMTNR1BMTNR1AALDH1A1
SCHEMBL29128255 0.75 POLB (0.34) —
SCHEMBL29125679 0.75 ALDH1A1 (0.45) ALDH1A1
SCHEMBL29126050 0.75 NOTUM (0.43) SORT1NOTUMMTNR1BMTNR1AALDH1A1
SCHEMBL29126017 0.75 MTNR1B (0.39) SORT1NOTUMMTNR1BMTNR1A

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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