SCHEMBL28518116

SCHEMBL28518116

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 0.60
▸ MEN1 O00255 8/20 0.60
▸ KMT2A Q03164 8/20 0.60
▸ RAB9A P51151 7/20 0.60
▸ MAPT P10636 7/20 0.60
▸ ALDH1A1 P00352 5/20 0.60
▸ HTT P42858 4/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ NPC1 O15118 5/20 0.58
▸ NPY1R P25929 1/20 0.58
▸ STAT3 P40763 3/20 0.54
▸ ATG4B Q9Y4P1 3/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.47
▸ CASP7 P55210 2/20 0.45
▸ CASP6 P55212 2/20 0.45
▸ CTDSP1 Q9GZU7 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

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
SCHEMBL28535985 0.91 LMNA (0.61) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL28907541 0.91 LMNA (0.61) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL28523379 0.90 LMNA (0.60) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL28533673 0.83 LMNA (0.56) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL881339 0.78 LMNA (0.84) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL28529715 0.76 ATG4B (0.64) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL1395039 0.76 LMNA (1.00) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL1392634 0.75 LMNA (0.92) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL4884971 0.74 LMNA (0.90) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL10253068 0.74 LMNA (0.77) LMNAMEN1KMT2ARAB9AMAPT

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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