SCHEMBL29125688

SCHEMBL29125688

CN(C)c1ccccc1OCSCc1n[nH]c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.46
▸ KMT2A Q03164 2/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ LMNA P02545 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ AR P10275 1/20 0.34
▸ TACR1 P25103 3/20 0.33
▸ GLA P06280 1/20 0.33
▸ DAO P14920 2/20 0.32
▸ BRS3 P32247 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ OGT O15294 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
SCHEMBL29125815 0.88 TSHR (0.33) TSHRLMNAHTT
SCHEMBL29125928 0.81 TSHR (0.49) TSHRKMT2AMMP13HSD17B10LMNA
SCHEMBL29126032 0.76 TSHR (0.56) TSHRKMT2AMMP13HSD17B10LMNA
SCHEMBL29125955 0.72 LMNA (0.46) TSHRKMT2AMMP13HSD17B10LMNA
SCHEMBL29125795 0.71 TSHR (0.41) TSHRKMT2AMMP13HSD17B10LMNA
SCHEMBL30788495 0.68 KMT2A (0.47) TSHRKMT2AMMP13HSD17B10LMNA
SCHEMBL29125925 0.68 KMT2A (0.47) TSHRKMT2AMMP13HSD17B10LMNA
SCHEMBL29125894 0.68 GRM4 (0.36) TSHRKMT2ALMNAHTT
SCHEMBL4049551 0.68 TSHR (0.63) TSHRKMT2AMMP13HSD17B10LMNA
SCHEMBL29125771 0.67 KMT2A (0.54) TSHRKMT2AMMP13LMNAALDH1A1

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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