SCHEMBL8991178

SCHEMBL8991178

CNc1ncnc2c1c([Se]C(N)=O)c(N)n2COCCOC

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.31
KDR P35968 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
NR2F2 P24468 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
FBP1 P09467 1/20 0.31
NUDT1 P36639 1/20 0.31
TLR7 Q9NYK1 1/20 0.30
FLT3 P36888 1/20 0.30
AURKA O14965 1/20 0.30
RPS6KB1 P23443 1/20 0.30
MET P08581 1/20 0.30
P2RY1 P47900 1/20 0.30

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
SCHEMBL8991126 0.88 RET (0.36) RETKDRFLT3MET
SCHEMBL8991176 0.88 XDH (0.31)
SCHEMBL8991298 0.81 RET (0.33) RETKDRTLR7P2RY1
SCHEMBL8991290 0.80 RET (0.33) RETKDRMEN1NPC1NR2F2
SCHEMBL8991170 0.80 RET (0.31) RETKDRMEN1NPC1NR2F2
SCHEMBL8991262 0.79 ADK (0.35) FLT3AURKARPS6KB1P2RY1
SCHEMBL8991066 0.78 ALDH1A1 (0.44) MEN1NPC1RAB9AKMT2ATLR7
SCHEMBL8991361 0.78 MEN1 (0.46) MEN1NPC1NR2F2RAB9AKMT2A
SCHEMBL8991164 0.76 LRRK2 (0.40) RETMEN1NPC1NR2F2RAB9A
SCHEMBL8991288 0.76 MEN1 (0.40) MEN1NPC1NR2F2RAB9AKMT2A

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