SCHEMBL28517228

SCHEMBL28517228

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.62
▸ MAPT P10636 5/20 0.62
▸ NPC1 O15118 5/20 0.62
▸ LMNA P02545 5/20 0.59
▸ MEN1 O00255 9/20 0.58
▸ KMT2A Q03164 9/20 0.58
▸ ATG4B Q9Y4P1 4/20 0.54
▸ HTT P42858 3/20 0.53
▸ ALDH1A1 P00352 4/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ ALPL P05186 2/20 0.47
▸ ALPI P09923 2/20 0.47
▸ ALPG P10696 2/20 0.47
▸ CASP6 P55212 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ MAPK10 P53779 1/20 0.46

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
SCHEMBL28523220 0.91 MEN1 (0.70) RAB9AMAPTNPC1LMNAMEN1
SCHEMBL28531249 0.91 LMNA (0.60) RAB9AMAPTNPC1LMNAMEN1
SCHEMBL28523107 0.90 LMNA (0.62) RAB9AMAPTNPC1LMNAMEN1
SCHEMBL28535984 0.89 MEN1 (0.58) RAB9AMAPTNPC1LMNAMEN1
SCHEMBL881339 0.80 LMNA (0.84) RAB9AMAPTNPC1LMNAMEN1
SCHEMBL8236728 0.77 LMNA (0.74) RAB9AMAPTNPC1LMNAMEN1
SCHEMBL28523379 0.76 LMNA (0.60) RAB9AMAPTNPC1LMNAMEN1
SCHEMBL1395039 0.75 LMNA (1.00) RAB9AMAPTNPC1LMNAMEN1
SCHEMBL375490 0.75 LMNA (0.76) RAB9AMAPTNPC1LMNAMEN1
SCHEMBL1392634 0.74 LMNA (0.92) RAB9AMAPTNPC1LMNAMEN1

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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