SCHEMBL29126018

SCHEMBL29126018

CSc1cccc(OCCCSCc2n[nH]c(=O)[nH]2)c1SC

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL29125918 0.89 LMNA (0.35) ALDH1A1LMNAHTT
SCHEMBL29125809 0.78 TSHR (0.46) TSHRKMT2AMMP13LMNAHTT
SCHEMBL29126054 0.77 TSHR (0.39) TSHRKMT2AMMP13ALDH1A1LMNA
SCHEMBL29126003 0.75 TSHR (0.49) TSHRKMT2AMMP13ALDH1A1LMNA
SCHEMBL29125948 0.74 KMT2A (0.53) TSHRKMT2AMMP13ALDH1A1LMNA
SCHEMBL29125714 0.74 CYP1A2 (0.55) TSHRKMT2AMMP13ALDH1A1LMNA
SCHEMBL30788510 0.74 CYP1A2 (0.55) TSHRKMT2AMMP13ALDH1A1LMNA
SCHEMBL29125803 0.72 KMT2A (0.43) TSHRKMT2AMMP13ALDH1A1LMNA
SCHEMBL29125945 0.71 LMNA (0.40) TSHRKMT2AMMP13ALDH1A1LMNA
SCHEMBL29125687 0.71 TSHR (0.44) TSHRKMT2AMMP13ALDH1A1LMNA

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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