SCHEMBL8991237

SCHEMBL8991237

CNc1ncnc2c1c([Se]C(N)=O)cn2Cc1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.42
PDE4B Q07343 5/20 0.42
PDE4C Q08493 5/20 0.42
PDE4D Q08499 5/20 0.42
PDE5A O76074 2/20 0.42
PDE1A P54750 2/20 0.42
PDE1B Q01064 2/20 0.42
PDE3B Q13370 2/20 0.42
PDE1C Q14123 2/20 0.42
PDE3A Q14432 2/20 0.42
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL8991397 0.87 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8991256 0.86 KDM4E (0.40) EGFRSRCCYP11B1CYP11B2SMN1; SMN2
SCHEMBL8991078 0.83 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL8991419 0.82 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8991412 0.80 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8991225 0.80 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8991300 0.80 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8991152 0.79 PDE4A (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL8991143 0.79 HDAC1 (0.46) PDE4APDE4BPDE4CPDE4DAURKA
SCHEMBL8991346 0.79 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE5A

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