SCHEMBL29125800

SCHEMBL29125800

CCC(Oc1ccc(F)cc1F)SCc1n[nH]c(=O)o1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.39
▸ NOTUM Q6P988 3/20 0.33
▸ SORT1 Q99523 1/20 0.33
▸ MAPK14 Q16539 2/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MTNR1B P49286 1/20 0.31
▸ DAO P14920 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
SCHEMBL29125732 0.87 ALDH1A1 (0.41) KMT2AMEN1MAPTHPGD
SCHEMBL29128394 0.81 TRPA1 (0.34) TRPA1KMT2AMEN1MAPTHPGD
SCHEMBL29125930 0.81 SORT1 (0.35) NOTUMSORT1KMT2AMEN1MAPT
SCHEMBL29125754 0.80 SORT1 (0.35) NOTUMSORT1MTNR1B
SCHEMBL29125907 0.79 P2RX3 (0.38) P2RX3NOTUMSORT1MAPK14KMT2A
SCHEMBL29125770 0.78 RRM1 (0.35) NOTUMSORT1MTNR1B
SCHEMBL29125920 0.77 ALDH1A1 (0.40) NOTUMSORT1MTNR1B
SCHEMBL29125798 0.76 NOTUM (0.37) NOTUMSORT1MTNR1BDAO
SCHEMBL29126017 0.76 MTNR1B (0.39) NOTUMSORT1KMT2AMEN1MTNR1B
SCHEMBL29128338 0.76 HTR2A (0.34) TRPA1KMT2AMEN1MAPTHPGD

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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