SCHEMBL8991137

SCHEMBL8991137

CNc1ncnc2c1c([Se]C(N)=O)c(N)n2Cc1cccc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NR3C2 P08235 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MMP13 P45452 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 4/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 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
SCHEMBL8991162 0.89 KDM4E (0.46) AURKARPS6KB1MEN1KMT2AMMP13
SCHEMBL8991288 0.89 MEN1 (0.40) RPS6KB1MEN1KMT2ANPC1RAB9A
SCHEMBL8991361 0.89 MEN1 (0.46) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL8991238 0.84 AURKA (0.40) AURKARPS6KB1MEN1KMT2ANR3C2
SCHEMBL8991300 0.83 PDE4A (0.43) AURKARPS6KB1MEN1KMT2ANR3C2
SCHEMBL8991066 0.82 ALDH1A1 (0.44) AURKARPS6KB1MEN1KMT2ANPC1
SCHEMBL8991221 0.82 MEN1 (0.39) AURKARPS6KB1MEN1KMT2ANPC1
SCHEMBL8991130 0.82 MEN1 (0.39) AURKARPS6KB1MEN1KMT2ANPC1
SCHEMBL8991276 0.78 MEN1 (0.40) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL8991261 0.77 KDM4E (0.49) RPS6KB1MEN1KMT2ANPC1RAB9A

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