SCHEMBL8991078

SCHEMBL8991078

CNc1ncnc2c1c([Se]C(N)=O)cn2Cc1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
GAA P10253 1/20 0.39
TP53 P04637 3/20 0.39
MAPT P10636 3/20 0.39
THRB P10828 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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 0.91 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL8991143 0.89 HDAC1 (0.46) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8991152 0.89 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL8991031 0.86 KDM4E (0.41) TP53MAPTTHRBRXFP1TDP1
SCHEMBL8991237 0.83 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8991244 0.81 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL8991231 0.79 GAA (0.41) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL8991063 0.79 GAA (0.41) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL8991288 0.79 MEN1 (0.40) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL8991346 0.78 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DNPC1

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