SCHEMBL8991288

SCHEMBL8991288

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
POLB P06746 3/20 0.36
RPS6KA3 P51812 3/20 0.35
FYN P06241 2/20 0.35
VCP P55072 2/20 0.35
NR2F2 P24468 1/20 0.35
GALR3 O60755 1/20 0.34

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
SCHEMBL8991361 0.91 MEN1 (0.46) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL8991066 0.89 ALDH1A1 (0.44) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL8991137 0.89 AURKA (0.40) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8991261 0.88 KDM4E (0.49) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL8991300 0.83 PDE4A (0.43) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8991147 0.81 GAA (0.39) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL8991134 0.80 GAA (0.42) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL8991286 0.79 GAA (0.41) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL8991078 0.79 PDE4A (0.42) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL8991176 0.78 XDH (0.31) PDE4APDE4BPDE4CPDE4D

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