SCHEMBL29125927

SCHEMBL29125927

O=c1[nH]nc(CSCC(Br)COc2ccccc2)o1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ NOTUM Q6P988 2/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SORT1 Q99523 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MTNR1B P49286 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
SCHEMBL29125750 0.86 ALDH1A1 (0.46) ALDH1A1NOTUMKMT2AHSD17B10SORT1
SCHEMBL29125674 0.86 ALDH1A1 (0.65) ALDH1A1KMT2AHSD17B10HPGDRAB9A
SCHEMBL29126043 0.79 ALDH1A1 (0.72) ALDH1A1NOTUMKMT2AHPGDL3MBTL1
SCHEMBL29125916 0.78 ALDH1A1 (0.63) ALDH1A1NOTUMHPGDRAB9AL3MBTL1
SCHEMBL29125768 0.76 ALDH1A1 (0.39) ALDH1A1NOTUMSORT1NPC1RAB9A
SCHEMBL29125797 0.75 NOTUM (0.38) ALDH1A1NOTUMKMT2ASORT1MTNR1B
SCHEMBL29125799 0.74 ALDH1A1 (0.40) ALDH1A1NOTUMSORT1MTNR1B
SCHEMBL29125684 0.73 ALDH1A1 (0.48) ALDH1A1NOTUMKMT2AHSD17B10HPGD
SCHEMBL29125742 0.73 NOTUM (0.39) ALDH1A1NOTUMSORT1MTNR1B
SCHEMBL29125872 0.72 ALDH1A1 (0.47) ALDH1A1NOTUMSORT1MTNR1B

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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