SCHEMBL13770819

SCHEMBL13770819

N/C(CCC(CC/C(N)=N/O)(C(=O)O)C(=O)NO)=N\O

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
KDM1A O60341 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
SCHEMBL13844184 0.91 CYP2D6 (0.42) CYP2D6KDM1A
SCHEMBL12127860 0.91 CYP2D6 (0.42) CYP2D6KDM1A
SCHEMBL1343560 0.85 CYP2D6 (0.48) CYP2D6KDM1A
SCHEMBL1343565 0.85 CYP2D6 (0.48) CYP2D6KDM1A
SCHEMBL13875538 0.84 CYP2D6 (0.37) CYP2D6
SCHEMBL15063109 0.69 CYP2D6 (0.44) CYP2D6
SCHEMBL15063110 0.69 CYP2D6 (0.44) CYP2D6
SCHEMBL15520425 0.63 CYP2D6 (0.37) CYP2D6KDM1A
SCHEMBL12127448 0.63 CYP2D6 (0.52) CYP2D6KDM1A
SCHEMBL20263644 0.62

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-2009085072-A1 COMPOSITION COMPRISING CHELATING AGENTS CONTAINING AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC (US) 2009-07-09 WO disclosed