SCHEMBL8991284

SCHEMBL8991284

COc1ccc(Cn2c(N)c([Se]C(N)=O)c3c(N)ncnc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 4/20 0.44
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 4/20 0.44
GLA P06280 4/20 0.44
GAA P10253 4/20 0.44
HPGD P15428 4/20 0.44
CASP1 P29466 3/20 0.44
CASP7 P55210 3/20 0.44
USP2 O75604 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
EGFR P00533 3/20 0.41
TLR7 Q9NYK1 1/20 0.40
PDE8B O95263 1/20 0.40
PDE1B Q01064 5/20 0.39
SRC P12931 3/20 0.39
ABL1 P00519 2/20 0.39
PIK3CD O00329 1/20 0.39

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
SCHEMBL8991066 0.89 ALDH1A1 (0.44) KDM4EHSD17B10MAPK1HTTALDH1A1
SCHEMBL8991261 0.88 KDM4E (0.49) KDM4EHSD17B10MAPK1TSHRHTT
SCHEMBL8991058 0.87 MAPK1 (0.55) KDM4EHSD17B10MAPK1TSHRHTT
SCHEMBL8991379 0.85 KDM4E (0.44) KDM4EHSD17B10MAPK1TSHRHTT
SCHEMBL8991022 0.81 KDM4E (0.44) KDM4EHSD17B10MAPK1TSHRHTT
SCHEMBL8991162 0.81 KDM4E (0.46) KDM4EHSD17B10MAPK1TSHRHTT
SCHEMBL8991011 0.80 KDM4E (0.49) KDM4EHSD17B10MAPK1TSHRHTT
SCHEMBL8991267 0.79 KDM4E (0.48) KDM4EHSD17B10MAPK1TSHRHTT
SCHEMBL8991091 0.79 EGFR (0.43) HPGDEGFRPDE8BSRCABL1
SCHEMBL8991133 0.77 HTT (0.45) KDM4EHSD17B10MAPK1TSHRHTT

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