SCHEMBL29128218

SCHEMBL29128218

S=c1[nH]cc(CSCCCOc2cc(Br)ccc2Br)o1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYSLTR2 Q9NS75 1/20 0.30
▸ CYSLTR1 Q9Y271 1/20 0.30
▸ BCHE P06276 2/20 0.30
▸ ACHE P22303 2/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL29128532 0.86 CYSLTR2 (0.30) CYSLTR2CYSLTR1
SCHEMBL29128234 0.84 ALDH1A1 (0.40) LMNAKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL29128225 0.83 DRD4 (0.40) LMNAKDM4EALDH1A1BCHEACHE
SCHEMBL29128332 0.78 ALDH1A1 (0.34) LMNAKDM4EALDH1A1
SCHEMBL29128488 0.77 L3MBTL1 (0.43) KDM4EALDH1A1SMN1; SMN2MEN1RAB9A
SCHEMBL29128245 0.77 L3MBTL1 (0.40) LMNAKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL29128514 0.76 ALDH1A1 (0.51) LMNAKDM4EALDH1A1
SCHEMBL29128438 0.75 DRD2 (0.41) LMNAALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL29128345 0.75 RAB9A (0.46) LMNAKDM4EALDH1A1MEN1HTT
SCHEMBL30799895 0.75 RAB9A (0.46) LMNAKDM4EALDH1A1MEN1HTT

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
Send feedback