SCHEMBL28529715

SCHEMBL28529715

O=C(CCCNC(=O)Nc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATG4B Q9Y4P1 11/20 0.64
▸ RAB9A P51151 6/20 0.62
▸ MEN1 O00255 6/20 0.62
▸ KMT2A Q03164 6/20 0.62
▸ LMNA P02545 5/20 0.62
▸ MAPT P10636 5/20 0.62
▸ HTT P42858 5/20 0.62
▸ SMN1; SMN2 Q16637 4/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ NPC1 O15118 4/20 0.60
▸ NPY1R P25929 1/20 0.60
▸ STAT3 P40763 1/20 0.56
▸ CDK2 P24941 1/20 0.51
▸ GSK3A P49840 1/20 0.51
▸ GSK3B P49841 1/20 0.51
▸ DYRK1A Q13627 1/20 0.51
▸ HIPK4 Q8NE63 1/20 0.51
▸ CLK4 Q9HAZ1 1/20 0.51

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
SCHEMBL28531345 0.89 ATG4B (0.58) ATG4BRAB9AMEN1KMT2ALMNA
SCHEMBL28524547 0.88 ATG4B (0.62) ATG4BRAB9AMEN1KMT2ALMNA
SCHEMBL28524551 0.80 ATG4B (0.61) ATG4BRAB9AMEN1KMT2ALMNA
SCHEMBL28524561 0.80 LMNA (0.62) ATG4BRAB9AMEN1KMT2ALMNA
SCHEMBL881339 0.80 LMNA (0.84) ATG4BRAB9AMEN1KMT2ALMNA
SCHEMBL18529262 0.79 ATG4B (1.00) ATG4BRAB9AMEN1KMT2ALMNA
SCHEMBL18529257 0.77 ATG4B (1.00) ATG4BRAB9AMEN1KMT2ALMNA
SCHEMBL28518116 0.76 LMNA (0.60) ATG4BRAB9AMEN1KMT2ALMNA
SCHEMBL1394642 0.76 ATG4B (0.85) ATG4BLMNACDK2GSK3AGSK3B
SCHEMBL375490 0.75 LMNA (0.76) ATG4BRAB9AMEN1KMT2ALMNA

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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