SCHEMBL29125736

SCHEMBL29125736

FC(COc1ccccc1)CSCc1n[nH]c(=S)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MMP13 P45452 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SCN4A P35499 2/20 0.31
▸ DAO P14920 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL29125813 0.88 TSHR (0.46) ALDH1A1KMT2AHSD17B10MMP13TSHR
SCHEMBL29125801 0.78 ALDH1A1 (0.60) ALDH1A1KDM4EKMT2AMMP13MEN1
SCHEMBL29125781 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2AMMP13MEN1
SCHEMBL29125983 0.75 KDM4E (0.34) ALDH1A1KDM4EKMT2AMMP13TSHR
SCHEMBL29125897 0.74 GAA (0.33) KDM4EKMT2ANPC1RAB9ALMNA
SCHEMBL29125676 0.72 KMT2A (0.34) KDM4EKMT2AMMP13MEN1HPGD
SCHEMBL29125912 0.72 RAB9A (0.53) ALDH1A1KMT2AMEN1TSHRNPC1
SCHEMBL29128491 0.72 ALDH1A1 (0.37) ALDH1A1KDM4EKMT2AHSD17B10LMNA
SCHEMBL29125864 0.71 — —
SCHEMBL29125694 0.70 RAB9A (0.51) ALDH1A1KMT2AMEN1TSHRNPC1

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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