SCHEMBL8991371

SCHEMBL8991371

CC(C)(C)c1ccc(Cn2c(N)c(C(N)=[Se])c3c(N)ncnc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
SRC P12931 2/20 0.38
ABL1 P00519 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PRKDC P78527 1/20 0.37
CCR9 P51686 4/20 0.36
RET P07949 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL8991169 0.89 MAPK1 (0.45) MAPK1KDM4ETSHRHTTHSD17B10
SCHEMBL8991251 0.88 KDM4E (0.49) MAPK1KDM4ETSHRHTTHSD17B10
SCHEMBL8991400 0.88 MEN1 (0.36) MAPK1KDM4ETSHRHTTHSD17B10
SCHEMBL8991048 0.85 KDM4E (0.57) MAPK1KDM4ETSHRHTTHSD17B10
SCHEMBL8991267 0.85 KDM4E (0.48) MAPK1KDM4ETSHRHTTHSD17B10
SCHEMBL8991379 0.80 KDM4E (0.44) MAPK1KDM4ETSHRHTTHSD17B10
SCHEMBL8991185 0.80 KDM4E (0.41) MAPK1KDM4ETSHRHTTHSD17B10
SCHEMBL8991144 0.80 KDM4E (0.48) MAPK1KDM4ETSHRHTTHSD17B10
SCHEMBL8991189 0.79 LRRK2 (0.52) MAPK1KDM4ETSHRHTTHSD17B10
SCHEMBL8991269 0.78 PI4KA (0.39) MAPK1KDM4ETSHRHTTHSD17B10

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