SCHEMBL8991397

SCHEMBL8991397

CNc1ncnc2c1c([Se]C(N)=O)cn2Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.51
PDE4B Q07343 3/20 0.51
PDE4C Q08493 3/20 0.51
PDE4D Q08499 3/20 0.51
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 2/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
YTHDC1 Q96MU7 3/20 0.39
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
BRDT Q58F21 1/20 0.39
KDM4E B2RXH2 2/20 0.39
PDE5A O76074 2/20 0.39
PDE1A P54750 2/20 0.39
PDE1B Q01064 2/20 0.39

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
SCHEMBL8991078 0.91 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL8991152 0.89 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DYTHDC1
SCHEMBL8991143 0.89 HDAC1 (0.46) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL8991237 0.87 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL8991346 0.86 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL8991302 0.84 ADORA2A (0.49) HTTEGFRSRCKDM4EFLT3
SCHEMBL8991110 0.81 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL8990936 0.80 ADK (0.33) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL8991388 0.80 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL8991103 0.80 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMEN1

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