SCHEMBL28524551

SCHEMBL28524551

O=C(CCCNC(=O)Nc1ccccc1Br)Nc1ncc([N+](=O)[O-])s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATG4B Q9Y4P1 12/20 0.61
▸ LMNA P02545 2/20 0.57
▸ MEN1 O00255 5/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ RAB9A P51151 5/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ MAPT P10636 3/20 0.57
▸ HTT P42858 2/20 0.57
▸ POLB P06746 1/20 0.55
▸ CDK2 P24941 1/20 0.54
▸ GSK3A P49840 1/20 0.54
▸ GSK3B P49841 1/20 0.54
▸ DYRK1A Q13627 1/20 0.54
▸ HIPK4 Q8NE63 1/20 0.54
▸ CLK4 Q9HAZ1 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NSD2 O96028 1/20 0.49
▸ ALPL P05186 1/20 0.49
▸ ALPI P09923 1/20 0.49

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
SCHEMBL28529715 0.80 ATG4B (0.64) ATG4BLMNAMEN1KMT2ARAB9A
SCHEMBL28524547 0.79 ATG4B (0.62) ATG4BLMNAMEN1KMT2ARAB9A
SCHEMBL28524561 0.78 LMNA (0.62) ATG4BLMNAMEN1KMT2ARAB9A
SCHEMBL881339 0.78 LMNA (0.84) ATG4BLMNAMEN1KMT2ARAB9A
SCHEMBL18529282 0.76 ATG4B (1.00) ATG4BLMNAMEN1KMT2ARAB9A
SCHEMBL18529273 0.76 ATG4B (1.00) ATG4BLMNAMEN1KMT2ARAB9A
SCHEMBL28531345 0.76 ATG4B (0.58) ATG4BLMNAMEN1KMT2ARAB9A
SCHEMBL18529262 0.75 ATG4B (1.00) ATG4BLMNAMEN1KMT2ARAB9A
SCHEMBL8236728 0.75 LMNA (0.74) ATG4BLMNAMEN1KMT2ARAB9A
SCHEMBL28523220 0.75 MEN1 (0.70) ATG4BLMNAMEN1KMT2ARAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109503569-B Thiazole derivative and preparation method and application thereof 山东大学 2021-01-15 — — CN claimed
CN-109503569-B Thiazole derivative and preparation method and application thereof 山东大学 2021-01-15 — — CN disclosed
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