SCHEMBL18529261

SCHEMBL18529261

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 18/20 1.00
LMNA P02545 2/20 0.64
CDK2 P24941 2/20 0.64
GSK3A P49840 2/20 0.64
GSK3B P49841 2/20 0.64
DYRK1A Q13627 1/20 0.64
HIPK4 Q8NE63 1/20 0.64
CLK4 Q9HAZ1 1/20 0.64
RPS6KB1 P23443 1/20 0.61
CDK5 Q00535 1/20 0.61
AURKB Q96GD4 1/20 0.61
MEN1 O00255 1/20 0.59
NPC1 O15118 1/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.59
HTT P42858 1/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL1394642 0.92 ATG4B (0.85) ATG4BLMNACDK2GSK3AGSK3B
Nithiazide SCHEMBL836586 0.89 ATG4B (0.80) ATG4BLMNACDK2GSK3AGSK3B
SCHEMBL18529262 0.85 ATG4B (1.00) ATG4BLMNACDK2GSK3AGSK3B
SCHEMBL14559624 0.84 ATG4B (0.74) ATG4BLMNACDK2GSK3AGSK3B
SCHEMBL18529281 0.83 ATG4B (1.00) ATG4BLMNACDK2GSK3AGSK3B
SCHEMBL3234255 0.81 ATG4B (0.68) ATG4BLMNACDK2GSK3AGSK3B
SCHEMBL18529285 0.81 ATG4B (1.00) ATG4BLMNACDK2GSK3AGSK3B
SCHEMBL18529290 0.81 ATG4B (1.00) ATG4BLMNACDK2GSK3AGSK3B
SCHEMBL5836289 0.81 LMNA (0.85) ATG4BLMNAMEN1NPC1ALDH1A1
SCHEMBL18529254 0.80 ATG4B (1.00) ATG4BLMNACDK2GSK3AGSK3B

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
WO-2017027984-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CANCER BY INHIBITING ATG4B AND BLOCKING AUTOPHAGY SIMON FRASER UNIVERSITY (CA) 2017-02-23 WO disclosed
WO-2017027984-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CANCER BY INHIBITING ATG4B AND BLOCKING AUTOPHAGY SIMON FRASER UNIVERSITY (CA) 2017-02-23 WO disclosed