SCHEMBL8991400

SCHEMBL8991400

CNc1ncnc2c1c(C(N)=[Se])c(N)n2Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
CCR9 P51686 5/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33

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
SCHEMBL8991094 0.90 MEN1 (0.37) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8991286 0.89 GAA (0.41) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8991371 0.88 MAPK1 (0.44) MEN1KMT2AKDM4EHSD17B10TSHR
SCHEMBL8991047 0.86 ALDH1A1 (0.46) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8991097 0.81 CCR9 (0.37) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8991130 0.81 MEN1 (0.39) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8991067 0.80 KDM4E (0.39) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8991141 0.80 PDE4A (0.38) MEN1KMT2ANPC1RAB9APDE4A
SCHEMBL8990963 0.79 MEN1 (0.48) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8991134 0.79 GAA (0.42) MEN1KMT2ANPC1RAB9AKDM4E

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