SCHEMBL29125865

SCHEMBL29125865

COc1ccc(OC(C)SCc2n[nH]c(=S)[nH]2)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ ALDH1A1 P00352 7/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ GAA P10253 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ MPI P34949 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32

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
SCHEMBL29125863 0.88 KMT2A (0.49) KMT2AHSD17B10CA12CA1CA2
SCHEMBL29125844 0.82 SLC6A4 (0.35) ALDH1A1KDM4EGAAMAPT
SCHEMBL29125804 0.80 ALDH1A1 (0.36) HSD17B10ALDH1A1KDM4EGAAPOLB
SCHEMBL29125924 0.79 NTRK1 (0.37) KMT2AHSD17B10ALDH1A1HPGDMAPT
SCHEMBL29125901 0.78 SMN1; SMN2 (0.35) KMT2AHSD17B10ALDH1A1KDM4EPOLB
SCHEMBL29125860 0.76 KMT2A (0.40) KMT2AHSD17B10CA12CA1CA2
SCHEMBL30788476 0.76 KMT2A (0.40) KMT2AHSD17B10CA12CA1CA2
SCHEMBL29125869 0.76 MEN1 (0.34) KMT2AHPGDMAPTMEN1L3MBTL1
SCHEMBL29125769 0.72 ALDH1A1 (0.30) HSD17B10ALDH1A1HPGDMAPT
SCHEMBL29125986 0.71 ALOX15 (0.34) KMT2AHSD17B10ALDH1A1HPGDMAPT

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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