SCHEMBL8991152

SCHEMBL8991152

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
NR1H4 Q96RI1 6/20 0.38
FLT3 P36888 1/20 0.36
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
TP53 P04637 2/20 0.35
YTHDC1 Q96MU7 1/20 0.35
EPHX2 P34913 1/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 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
SCHEMBL8991078 0.89 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL8991397 0.89 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DFLT3
SCHEMBL8991275 0.87 FLT3 (0.43) NR1H4FLT3ABCC8KCNJ11ICMT
SCHEMBL8991143 0.86 HDAC1 (0.46) PDE4APDE4BPDE4CPDE4DYTHDC1
SCHEMBL8991272 0.82 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DNR1H4
SCHEMBL8991141 0.81 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DNR1H4
SCHEMBL8991264 0.81 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DNR1H4
SCHEMBL8991237 0.79 PDE4A (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL8991346 0.76 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL8990936 0.76 ADK (0.33) PDE4APDE4BPDE4CPDE4DFLT3

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