SCHEMBL6028956

SCHEMBL6028956

Nc1nc([AsH]CCCn2cc(C(=O)O)c(-c3ccc(Cl)cc3Cl)c2)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
EIF4E P06730 5/20 0.38
CDK1 P06493 2/20 0.36
CCNB2 O95067 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
HSD11B1 P28845 1/20 0.35
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
DHODH Q02127 1/20 0.33
MAPT P10636 2/20 0.32
PKM P14618 1/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
APEX1 P27695 1/20 0.32
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL1219415 0.84 GSK3B (0.51) GSK3BGSK3AEIF4ECDK1CCNB2
SCHEMBL2912175 0.83 GSK3B (0.51) GSK3BGSK3AEIF4ECDK1CCNB2
SCHEMBL6265340 0.79 GSK3B (0.44) GSK3BGSK3AEIF4ECDK1CCNB2
SCHEMBL6028953 0.79 GSK3B (0.38) GSK3BGSK3AEIF4ECDK1CCNB2
SCHEMBL2906807 0.76 GSK3B (0.45) GSK3BGSK3AEIF4ECDK1CCNB2
SCHEMBL2906887 0.76 GSK3B (0.43) GSK3BGSK3AEIF4ECDK1CCNB2
Ammonia Solution, Strong SCHEMBL2909794 0.75 GSK3B (0.41) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2911606 0.74 GSK3B (0.48) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2909523 0.74 GSK3B (0.48) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2911032 0.74 GSK3B (0.45) GSK3BGSK3ACDK1CCNB2CCNB1

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