SCHEMBL28531249

SCHEMBL28531249

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.60
▸ MEN1 O00255 10/20 0.59
▸ KMT2A Q03164 10/20 0.59
▸ RAB9A P51151 8/20 0.54
▸ MAPT P10636 7/20 0.54
▸ NPC1 O15118 6/20 0.54
▸ HTT P42858 4/20 0.54
▸ ALDH1A1 P00352 7/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.49
▸ ATG4B Q9Y4P1 1/20 0.48
▸ NPY1R P25929 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ NSD2 O96028 1/20 0.47
▸ ALPL P05186 1/20 0.47
▸ ALPI P09923 1/20 0.47
▸ ALPG P10696 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ CASP6 P55212 1/20 0.47

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 0.92 MEN1 (0.70) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL28523107 0.91 LMNA (0.62) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL28517228 0.91 RAB9A (0.62) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL28535984 0.84 MEN1 (0.58) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL881339 0.80 LMNA (0.84) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL375490 0.76 LMNA (0.76) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL1395039 0.76 LMNA (1.00) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL28535985 0.76 LMNA (0.61) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL1392634 0.75 LMNA (0.92) LMNAMEN1KMT2ARAB9AMAPT
Hydrochloric Acid SCHEMBL28533675 0.75 LMNA (0.74) 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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