SCHEMBL8990963

SCHEMBL8990963

CNc1ncnc2c1c(C(N)=S)c(N)n2Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 3/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
POLB P06746 2/20 0.43
NR2F2 P24468 1/20 0.43
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39

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 0.91 GAA (0.42) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8991094 0.89 MEN1 (0.37) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8991357 0.88 MEN1 (0.48) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8991221 0.88 MEN1 (0.39) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8991320 0.88 ALDH1A1 (0.47) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8991214 0.86 EGFR (0.38) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8991414 0.85 KDM4E (0.57) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8991122 0.85 PDE4A (0.41) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8991286 0.81 GAA (0.41) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8991361 0.80 MEN1 (0.46) 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