SCHEMBL8991063

SCHEMBL8991063

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
TP53 P04637 3/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GALR3 O60755 1/20 0.34
YTHDC1 Q96MU7 1/20 0.34
EGFR P00533 1/20 0.33

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
SCHEMBL8991388 0.90 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8991141 0.89 PDE4A (0.38) GAAPDE4APDE4BPDE4CPDE4D
SCHEMBL8991231 0.89 GAA (0.41) GAAPDE4APDE4BPDE4CPDE4D
SCHEMBL8991138 0.88 ABL1 (0.43) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL8991019 0.85 KDM4E (0.41) GAATP53MAPTTDP1LMNA
SCHEMBL8991225 0.82 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL8991078 0.79 PDE4A (0.42) GAAPDE4APDE4BPDE4CPDE4D
SCHEMBL8991244 0.79 PDE4A (0.40) GAAPDE4APDE4BPDE4CPDE4D
SCHEMBL8991103 0.78 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8991264 0.78 PDE4A (0.38) 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