SCHEMBL8990972

SCHEMBL8990972

CNc1ncnc2c1c(SC(N)=O)c(N)n2Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPK1 P28482 2/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HTT P42858 1/20 0.45
POLB P06746 2/20 0.41
NR2F2 P24468 1/20 0.40
FBP1 P09467 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL8991147 0.90 GAA (0.39) MEN1KMT2ANPC1RAB9APDE4A
SCHEMBL8991238 0.90 AURKA (0.40) MEN1KMT2ANPC1RAB9APDE4A
SCHEMBL8991328 0.88 ALDH1A1 (0.44) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8991097 0.88 CCR9 (0.37) MEN1KMT2ANPC1RAB9APDE4A
SCHEMBL8991228 0.87 PDE4A (0.37) MEN1KMT2ANPC1RAB9APDE4A
SCHEMBL8991429 0.86 MAPK1 (0.54) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8991129 0.86 PDE4A (0.41) MEN1KMT2ANPC1RAB9APDE4A
SCHEMBL8991361 0.81 MEN1 (0.46) MEN1KMT2ANPC1RAB9APDE4A
SCHEMBL8991012 0.79 XDH (0.33)
SCHEMBL8991357 0.79 MEN1 (0.48) MEN1KMT2ANPC1RAB9APDE4A

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