SCHEMBL28523379

SCHEMBL28523379

O=C(CCCN(c1ccc(Br)cc1)[SH](=O)=O)Nc1ncc([N+](=O)[O-])s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.60
▸ RAB9A P51151 8/20 0.60
▸ NPC1 O15118 6/20 0.60
▸ MAPT P10636 6/20 0.60
▸ ATG4B Q9Y4P1 4/20 0.53
▸ MEN1 O00255 9/20 0.52
▸ KMT2A Q03164 9/20 0.52
▸ HTT P42858 3/20 0.52
▸ ALDH1A1 P00352 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.47
▸ CASP6 P55212 3/20 0.46
▸ ALPL P05186 2/20 0.46
▸ ALPI P09923 2/20 0.46
▸ ALPG P10696 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ NPY1R P25929 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CASP7 P55210 2/20 0.45
▸ CTDSP1 Q9GZU7 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
SCHEMBL28907541 0.91 LMNA (0.61) LMNARAB9ANPC1MAPTATG4B
SCHEMBL28535985 0.91 LMNA (0.61) LMNARAB9ANPC1MAPTATG4B
SCHEMBL28518116 0.90 LMNA (0.60) LMNARAB9ANPC1MAPTATG4B
SCHEMBL28533673 0.89 LMNA (0.56) LMNARAB9ANPC1MAPTATG4B
SCHEMBL881339 0.78 LMNA (0.84) LMNARAB9ANPC1MAPTATG4B
SCHEMBL28517228 0.76 RAB9A (0.62) LMNARAB9ANPC1MAPTATG4B
SCHEMBL1395039 0.76 LMNA (1.00) LMNARAB9ANPC1MAPTATG4B
SCHEMBL8236728 0.75 LMNA (0.74) LMNARAB9ANPC1MAPTATG4B
SCHEMBL1392634 0.75 LMNA (0.92) LMNARAB9ANPC1MAPTATG4B
SCHEMBL4884971 0.74 LMNA (0.90) LMNARAB9ANPC1MAPTATG4B

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