SCHEMBL8991286

SCHEMBL8991286

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
GALR3 O60755 1/20 0.36
POLB P06746 3/20 0.36
MAPT P10636 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
NR2F2 P24468 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 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
SCHEMBL8991134 0.90 GAA (0.42) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL8991357 0.90 MEN1 (0.48) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL8991400 0.89 MEN1 (0.36) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL8991047 0.88 ALDH1A1 (0.46) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL8991251 0.87 KDM4E (0.49) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL8991130 0.87 MEN1 (0.39) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL8991296 0.82 PDE4A (0.41) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8990963 0.81 MEN1 (0.48) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL8991147 0.79 GAA (0.39) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL8991288 0.79 MEN1 (0.40) GAAMEN1KMT2ANPC1RAB9A

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