SCHEMBL8991058

SCHEMBL8991058

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
KDM4E B2RXH2 2/20 0.55
TSHR P16473 2/20 0.55
HSD17B10 Q99714 2/20 0.55
HTT P42858 1/20 0.55
ADORA2A P29274 3/20 0.46
ADORA1 P30542 2/20 0.46
PI4KA P42356 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
FBP1 P09467 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NR2F2 P24468 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40

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
SCHEMBL8991261 0.90 KDM4E (0.49) MAPK1KDM4ETSHRHSD17B10HTT
SCHEMBL8991284 0.87 KDM4E (0.44) MAPK1KDM4ETSHRHSD17B10HTT
SCHEMBL8991162 0.87 KDM4E (0.46) MAPK1KDM4ETSHRHSD17B10HTT
SCHEMBL8991379 0.87 KDM4E (0.44) MAPK1KDM4ETSHRHSD17B10HTT
SCHEMBL8991361 0.86 MEN1 (0.46) MAPK1KDM4ETSHRHSD17B10HTT
SCHEMBL8991133 0.85 HTT (0.45) MAPK1KDM4ETSHRHSD17B10HTT
SCHEMBL8990968 0.85 KDM4E (0.42) MAPK1KDM4ETSHRHSD17B10HTT
SCHEMBL8991429 0.80 MAPK1 (0.54) MAPK1KDM4ETSHRHSD17B10HTT
SCHEMBL8991048 0.78 KDM4E (0.57) MAPK1KDM4ETSHRHSD17B10HTT
SCHEMBL8991414 0.78 KDM4E (0.57) MAPK1KDM4ETSHRHSD17B10HTT

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