SCHEMBL6446773

SCHEMBL6446773

CSC(CNC(=O)OCC#N)C(=O)NCCC#N

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32

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
SCHEMBL6446656 0.87 CTSS (0.39)
SCHEMBL6446718 0.87 CTSS (0.32)
SCHEMBL6442039 0.86 SMN1; SMN2 (0.36)
SCHEMBL6445291 0.84 ACHE (0.42)
SCHEMBL6444828 0.82 ACHE (0.47)
SCHEMBL6445034 0.82
SCHEMBL6447225 0.82 CTSS (0.44)
SCHEMBL6443401 0.78 ZDHHC20 (0.30) ZDHHC20ZDHHC2
SCHEMBL6020297 0.77 CTSS (0.41)
SCHEMBL6822717 0.76 ALDH1A1 (0.34) ZDHHC20ZDHHC2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO claimed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO disclosed