SCHEMBL29125763

SCHEMBL29125763

CC(Oc1c(I)cccc1I)SCc1n[nH]c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ BTK Q06187 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ ALDH1A1 P00352 2/20 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
SCHEMBL29125936 0.85 LMNA (0.40) TSHRBTKLMNAGLAKMT2A
SCHEMBL29125777 0.80 TSHR (0.44) TSHRBTKLMNAGLAKMT2A
SCHEMBL29128483 0.78 DPYD (0.33) —
SCHEMBL29125699 0.74 TSHR (0.39) TSHRLMNAGLAKMT2AHSD17B10
SCHEMBL29125698 0.73 DAO (0.39) TSHRGLAALDH1A1
SCHEMBL29125758 0.73 TSHR (0.45) TSHRBTKLMNAGLAKMT2A
SCHEMBL29125859 0.72 TSHR (0.42) TSHRLMNAKMT2AMMP13HSD17B10
SCHEMBL29125769 0.72 ALDH1A1 (0.30) HSD17B10ALDH1A1
SCHEMBL29125740 0.72 KMT2A (0.36) TSHRKMT2AHSD17B10
SCHEMBL21961228 0.70 TSHR (0.57) TSHRLMNAGLAKMT2AHSD17B10

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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