SCHEMBL7658642

SCHEMBL7658642

CC(=S)Nc1cnc(NCCNc2ccc([N+](=O)[O-])c(N)n2)nc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.46
GSK3A P49840 3/20 0.46
CDK1 P06493 2/20 0.46
CCNB2 O95067 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
SIRT5 Q9NXA8 4/20 0.35
NTRK1 P04629 4/20 0.35
ADORA1 P30542 3/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
PRKCQ Q04759 3/20 0.34
NTRK3 Q16288 1/20 0.33

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
SCHEMBL5094406 0.83 GSK3B (0.66) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7651221 0.81 GSK3B (0.53) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4992908 0.78 GSK3B (0.53) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4992921 0.76 GSK3B (0.73) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5094779 0.75 GSK3B (0.67) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5095056 0.73 GSK3B (0.61) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL27559810 0.73 GSK3B (0.46) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4398699 0.71 GSK3B (0.64) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL7653320 0.71 GSK3B (0.45) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5093471 0.71 GSK3B (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed