SCHEMBL29128286

SCHEMBL29128286

S=c1[nH]cc(COc2cccc(Br)c2Br)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.39
▸ MEN1 O00255 6/20 0.39
▸ LMNA P02545 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ ALDH1A1 P00352 6/20 0.37
▸ HTT P42858 4/20 0.37
▸ HPGD P15428 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ PKM P14618 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ POLB P06746 3/20 0.34
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ HTR1A P08908 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
SCHEMBL29128219 0.83 ALDH1A1 (0.39) KMT2AMEN1LMNASMN1; SMN2NPC1
SCHEMBL29128220 0.82 KMT2A (0.39) KMT2AMEN1LMNASMN1; SMN2NPC1
SCHEMBL29128271 0.78 MRGPRX4 (0.40) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL29128331 0.75 NISCH (0.46) KMT2AMEN1LMNASMN1; SMN2NPC1
SCHEMBL29125873 0.74 ALDH1A1 (0.64) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL29128414 0.73 SMN1; SMN2 (0.44) KMT2AMEN1LMNASMN1; SMN2NPC1
SCHEMBL29128479 0.73 ALDH1A1 (0.38) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL29128244 0.71 L3MBTL1 (0.46) KMT2AMEN1LMNASMN1; SMN2NPC1
SCHEMBL29128319 0.70 HDAC3 (0.46) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL30800058 0.70 HDAC3 (0.46) KMT2AMEN1ALDH1A1MAPTTSHR

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-117263862-A Phenol-1, 3-oxazole/dihydroimidazole-2-ketone/thioketone compound and synthesis and application thereof 吉首大学 2023-12-22 — — CN disclosed
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