SCHEMBL6028953

SCHEMBL6028953

Nc1nc([AsH]CCCc2[nH]cc(-c3ccc(Cl)cc3Cl)c2C(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.38
GSK3A P49840 3/20 0.38
CDK1 P06493 2/20 0.38
CCNB2 O95067 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
EIF4E P06730 3/20 0.34
NPBWR1 P48145 1/20 0.31
HSD11B1 P28845 1/20 0.31
INPPL1 O15357 1/20 0.31
MAPT P10636 2/20 0.30
ALPL P05186 1/20 0.30
PLA2G1B P04054 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30
DPP4 P27487 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL6429858 0.84 GSK3B (0.52) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL6028956 0.79 GSK3B (0.38) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL6265338 0.75 GSK3B (0.48) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL6210081 0.71 GSK3B (0.51) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL6213250 0.68 GSK3B (0.51) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2903944 0.64 GSK3B (0.51) GSK3BGSK3ACDK1CCNB2CCNB1
Ammonia Solution, Strong SCHEMBL2909794 0.64 GSK3B (0.41) GSK3BGSK3ACDK1CCNB2CCNB1
Ammonia Solution, Strong SCHEMBL2912015 0.64 GSK3B (0.42) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL6069007 0.64 GSK3B (0.53) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2907836 0.64 MAPK1 (0.56) TSHRMAPK1NPBWR1HSD11B1MAPT

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
EP-1618127-A2 THE SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
WO-2004092360-A2 THE SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS CHIRON CORPORATION (US) 2004-10-28 WO disclosed