SCHEMBL29128219

SCHEMBL29128219

S=c1[nH]cc(COc2c(Br)cccc2Br)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ POLB P06746 1/20 0.39
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HTT P42858 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ PKM P14618 1/20 0.30
▸ PSMB8 P28062 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
SCHEMBL29128286 0.83 KMT2A (0.39) ALDH1A1POLBLMNASMN1; SMN2MEN1
SCHEMBL29128479 0.83 ALDH1A1 (0.38) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL29128414 0.77 SMN1; SMN2 (0.44) ALDH1A1POLBLMNASMN1; SMN2MEN1
SCHEMBL29128271 0.76 MRGPRX4 (0.40) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL29128319 0.73 HDAC3 (0.46) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL30800058 0.73 HDAC3 (0.46) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL29125762 0.72 ALDH1A1 (0.69) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL29128523 0.72 LTA4H (0.41) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL30800063 0.72 LTA4H (0.41) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL29128411 0.70 NPC1 (0.52) ALDH1A1POLBLMNASMN1; SMN2KMT2A

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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