SCHEMBL30101022

SCHEMBL30101022

O=c1[nH]c(NCc2cccnc2)nc2nc[nH]c12

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 3/20 0.54
XDH P47989 3/20 0.53

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
SCHEMBL18251 0.86 PNP (0.62) XDH
SCHEMBL6812718 0.85 XDH (0.57) XDH
SCHEMBL1394088 0.85 PNP (0.61) XDH
Cyanide SCHEMBL2694132 0.83 PNP (0.58) XDH
SCHEMBL28483507 0.80 XDH (0.52) XDH
SCHEMBL29979119 0.80 XDH (0.52) XDH
SCHEMBL28283407 0.80 XDH (0.55) XDH
SCHEMBL5087946 0.80 XDH (0.52) XDH
SCHEMBL28283406 0.80 XDH (0.52) XDH
Monoethanolamine SCHEMBL27179191 0.79 PNP (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022159193-A9 PROXIMITY-DEPENDENT PHOTOACTIVATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-11-17 WO disclosed