SCHEMBL10052059

SCHEMBL10052059

CC(=N)/C(N=Nc1c(C#N)cnn1-c1ccc(C(=O)O)c(C(=O)O)c1)=C(/N)Nc1nc(O)nc(-n2nc(C)c(N=Nc3c(C#N)cnn3-c3ccc(C(=O)O)c(C(=O)O)c3)c2N)n1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.30

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
SCHEMBL12052398 0.85 XDH (0.39) XDH
SCHEMBL10052055 0.81
SCHEMBL13762783 0.80 XDH (0.35) XDH
SCHEMBL12998643 0.80 XDH (0.34) XDH
SCHEMBL13797714 0.79 XDH (0.33) XDH
SCHEMBL12552931 0.79 XDH (0.33) XDH
SCHEMBL1613186 0.77 XDH (0.41) XDH
SCHEMBL15233457 0.76 XDH (0.37) XDH
SCHEMBL12998755 0.75 XDH (0.31) XDH
SCHEMBL12998659 0.75 XDH (0.33) XDH

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
US-8114208-B2 Ink jet ink, ink jet recording method, ink cartridge, recording unit and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2012-02-14 US disclosed
US-20090274839-A1 INK JET INK, INK JET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT AND INK JET RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2009-11-05 US disclosed