SCHEMBL28524561

SCHEMBL28524561

O=C(CCCNC(=S)Nc1ccccc1)Nc1ncc([N+](=O)[O-])s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.62
▸ MEN1 O00255 7/20 0.62
▸ KMT2A Q03164 7/20 0.62
▸ RAB9A P51151 6/20 0.62
▸ MAPT P10636 6/20 0.62
▸ NPC1 O15118 4/20 0.62
▸ HTT P42858 3/20 0.62
▸ ALDH1A1 P00352 5/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ ATG4B Q9Y4P1 6/20 0.58
▸ CDK2 P24941 1/20 0.53
▸ GSK3A P49840 1/20 0.53
▸ GSK3B P49841 1/20 0.53
▸ DYRK1A Q13627 1/20 0.53
▸ HIPK4 Q8NE63 1/20 0.53
▸ CLK4 Q9HAZ1 1/20 0.53
▸ ALPL P05186 2/20 0.53
▸ NSD2 O96028 1/20 0.53
▸ ALPI P09923 1/20 0.53
▸ ALPG P10696 1/20 0.53

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
SCHEMBL6295891 0.82 MEN1 (0.74) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL28529715 0.80 ATG4B (0.64) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL881339 0.80 LMNA (0.84) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL28525614 0.79 LMNA (0.59) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL28524547 0.79 ATG4B (0.62) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL28532226 0.78 MEN1 (0.67) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL28523220 0.78 MEN1 (0.70) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL28524551 0.78 ATG4B (0.61) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL1395039 0.78 LMNA (1.00) LMNAMEN1KMT2ARAB9AMAPT
SCHEMBL375490 0.78 LMNA (0.76) 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 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
Send feedback