SCHEMBL28535984

SCHEMBL28535984

O=C(CCCNS(=O)(=O)c1cccc(Br)c1)Nc1ncc([N+](=O)[O-])s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.58
▸ KMT2A Q03164 10/20 0.58
▸ LMNA P02545 5/20 0.54
▸ ATG4B Q9Y4P1 4/20 0.54
▸ RAB9A P51151 8/20 0.52
▸ MAPT P10636 6/20 0.52
▸ NPC1 O15118 6/20 0.52
▸ HTT P42858 3/20 0.52
▸ ATM Q13315 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ POLB P06746 1/20 0.45
▸ NSD2 O96028 1/20 0.45
▸ ALPL P05186 1/20 0.45
▸ ALPI P09923 1/20 0.45
▸ ALPG P10696 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ CASP8 Q14790 1/20 0.45

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
SCHEMBL28517228 0.89 RAB9A (0.62) MEN1KMT2ALMNAATG4BRAB9A
SCHEMBL28523220 0.88 MEN1 (0.70) MEN1KMT2ALMNAATG4BRAB9A
SCHEMBL28531249 0.84 LMNA (0.60) MEN1KMT2ALMNAATG4BRAB9A
SCHEMBL28523107 0.84 LMNA (0.62) MEN1KMT2ALMNARAB9AMAPT
SCHEMBL881339 0.76 LMNA (0.84) MEN1KMT2ALMNAATG4BRAB9A
SCHEMBL28533673 0.75 LMNA (0.56) MEN1KMT2ALMNAATG4BRAB9A
SCHEMBL8236728 0.73 LMNA (0.74) MEN1KMT2ALMNAATG4BRAB9A
SCHEMBL28524551 0.72 ATG4B (0.61) MEN1KMT2ALMNAATG4BRAB9A
SCHEMBL1395039 0.72 LMNA (1.00) MEN1KMT2ALMNAATG4BRAB9A
SCHEMBL375490 0.72 LMNA (0.76) MEN1KMT2ALMNAATG4BRAB9A

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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