SCHEMBL5087946

SCHEMBL5087946

O=c1[nH]c(NCc2cccc(I)c2)nc2nc[nH]c12

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.52

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
SCHEMBL29979119 1.00 XDH (0.52) XDH
SCHEMBL28483507 0.86 XDH (0.52) XDH
SCHEMBL28283406 0.86 XDH (0.52) XDH
SCHEMBL28283407 0.86 XDH (0.55) XDH
SCHEMBL18251 0.85 PNP (0.62) XDH
SCHEMBL1394088 0.84 PNP (0.61) XDH
Cyanide SCHEMBL2694132 0.82 PNP (0.58) XDH
SCHEMBL29561480 0.81 XDH (0.56) XDH
SCHEMBL30101022 0.80 PDE9A (0.54) XDH
SCHEMBL8145524 0.80 POLA1 (0.65) 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-2008109417-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2008-09-12 WO claimed