SCHEMBL20865055

SCHEMBL20865055

CC(C)Cn1c(=O)[nH]c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 5/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
B3GNT2 Q9NY97 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RGS4 P49798 2/20 0.38
RGS8 P57771 1/20 0.38
PDE2A O00408 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
MTOR P42345 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL28673531 0.82 KDM4E (0.37) ALDH1A1KDM4EMEN1LMNAGAA
SCHEMBL10830627 0.82 KDM4E (0.38) ALDH1A1KDM4EMEN1LMNAGAA
SCHEMBL10303437 0.80 LMNA (0.34) ALDH1A1KDM4EMEN1LMNAGAA
SCHEMBL28793933 0.79 KDM4E (0.32) ALDH1A1KDM4EMEN1LMNAGAA
SCHEMBL6521615 0.77 APAF1 (0.40) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL109469 0.76 APEX1 (0.33)
SCHEMBL27800402 0.74 GRIN1 (0.41) MEN1KMT2AGRIN1GRIN2B
SCHEMBL28512835 0.73 APEX1 (0.39) ALDH1A1KDM4EMEN1KMT2AB3GNT2
SCHEMBL1945331 0.73 KDM4E (0.64) ALDH1A1KDM4EMEN1LMNAGAA
SCHEMBL163183 0.72 MAPT (0.47) ALDH1A1KDM4EMEN1LMNAGAA

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-20190100642-A1 ASSOCIATIVE POLYMERS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS UNITED STATES OF AMERICA AS REPRENSETED BY THE ADMINISTRATOR OF NASA 2019-04-04 US disclosed