SCHEMBL8991048

SCHEMBL8991048

NC(=[Se])c1c(N)n(Cc2ccccc2)c2ncnc(N)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
TSHR P16473 3/20 0.57
HSD17B10 Q99714 3/20 0.57
MAPK1 P28482 2/20 0.57
HTT P42858 1/20 0.57
ADORA2A P29274 4/20 0.48
ADORA1 P30542 2/20 0.48
PI4KA P42356 1/20 0.45
PI4K2B Q8TCG2 1/20 0.45
PI4K2A Q9BTU6 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NR2F2 P24468 1/20 0.43
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
CASP1 P29466 2/20 0.41

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
SCHEMBL8991251 0.88 KDM4E (0.49) KDM4ETSHRHSD17B10MAPK1HTT
SCHEMBL8991414 0.87 KDM4E (0.57) KDM4ETSHRHSD17B10MAPK1HTT
SCHEMBL8991144 0.86 KDM4E (0.48) KDM4ETSHRHSD17B10MAPK1HTT
SCHEMBL8991357 0.85 MEN1 (0.48) KDM4ETSHRHSD17B10MAPK1HTT
SCHEMBL8991371 0.85 MAPK1 (0.44) KDM4ETSHRHSD17B10MAPK1HTT
SCHEMBL8991267 0.84 KDM4E (0.48) KDM4ETSHRHSD17B10MAPK1HTT
SCHEMBL8990961 0.84 KDM4E (0.44) KDM4ETSHRHSD17B10MAPK1HTT
SCHEMBL8991123 0.83 KDM4E (0.44) KDM4ETSHRHSD17B10MAPK1HTT
SCHEMBL8991058 0.78 MAPK1 (0.55) KDM4ETSHRHSD17B10MAPK1HTT
SCHEMBL8991429 0.77 MAPK1 (0.54) KDM4ETSHRHSD17B10MAPK1HTT

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