SCHEMBL8991491

SCHEMBL8991491

Cc1ccccc1Cn1c(N)c(SC(N)=O)c2c(N)ncnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EIF2AK3 Q9NZJ5 1/20 0.38
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
SRC P12931 3/20 0.36
EGFR P00533 3/20 0.36
CDK1 P06493 1/20 0.36
EPHB4 P54760 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATG7 O95352 1/20 0.36
PLA2G2A P14555 1/20 0.36
MAP4K4 O95819 1/20 0.35
ABL1 P00519 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8991129 0.89 PDE4A (0.41) HTTKDM4ETSHRMAPK1HSD17B10
SCHEMBL8991429 0.84 MAPK1 (0.54) HTTKDM4ETSHRMAPK1HSD17B10
SCHEMBL8991108 0.82 KDM4E (0.46) HTTKDM4ETSHRMAPK1HSD17B10
SCHEMBL8991133 0.80 HTT (0.45) HTTKDM4ETSHRMAPK1HSD17B10
SCHEMBL8991123 0.79 KDM4E (0.44) HTTKDM4ETSHRMAPK1HSD17B10
SCHEMBL8991480 0.79 KDM4E (0.44) HTTKDM4ETSHRMAPK1HSD17B10
SCHEMBL7704465 0.78 EIF2AK3 (0.40) HTTKDM4ETSHRMAPK1HSD17B10
SCHEMBL8991185 0.77 KDM4E (0.41) HTTKDM4ETSHRMAPK1HSD17B10
SCHEMBL8991022 0.77 KDM4E (0.44) HTTKDM4ETSHRMAPK1HSD17B10
SCHEMBL7700291 0.75 KDM4E (0.41) HTTKDM4ETSHRMAPK1HSD17B10

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