SCHEMBL8991176

SCHEMBL8991176

CCOCn1c(N)c([Se]C(N)=O)c2c(NC)ncnc21

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL8991178 0.88 RET (0.31)
SCHEMBL8991135 0.87 KDM4E (0.35)
SCHEMBL8991012 0.80 XDH (0.33) XDH
SCHEMBL8991361 0.80 MEN1 (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL8991288 0.78 MEN1 (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL8991163 0.78 YTHDC1 (0.31)
SCHEMBL8991004 0.78 YTHDC1 (0.31)
SCHEMBL8991066 0.78 ALDH1A1 (0.44)
SCHEMBL8990936 0.78 ADK (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL8991300 0.77 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D

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
US-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 US disclosed