SCHEMBL5370705

SCHEMBL5370705

Cc1nc(Cl)nc(N(CC(C)C)NC(=O)OC(C)(C)C)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.40
AAK1 Q2M2I8 4/20 0.34

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
SCHEMBL5302274 0.85 POLB (0.34) POLBAAK1
SCHEMBL5306935 0.84 AAK1 (0.36) AAK1
SCHEMBL5306740 0.81 STK17B (0.39) MAPTAAK1
SCHEMBL5792631 0.77 STK17B (0.42) AAK1
SCHEMBL5306326 0.76 STK17B (0.47) AAK1
SCHEMBL5306991 0.74 STK17B (0.41) AAK1
SCHEMBL3316282 0.74 STK17B (0.41) AAK1
SCHEMBL5804885 0.73 MEN1 (0.38) AAK1
SCHEMBL5309237 0.73 STK17B (0.40) AAK1
SCHEMBL5306751 0.73 STK17B (0.37) AAK1

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
WO-2007025776-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO disclosed