SCHEMBL4783822

SCHEMBL4783822

CN(C)C(=CC=O)c1cncc(-c2ccncc2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
HTT P42858 1/20 0.36
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ERN1 O75460 2/20 0.35
XDH P47989 3/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34
GSK3B P49841 1/20 0.33
CASP3 P42574 1/20 0.33
SCN10A Q9Y5Y9 2/20 0.33
AXL P30530 1/20 0.33
KIT P10721 1/20 0.32
SRC P12931 1/20 0.32
FLT3 P36888 1/20 0.32
ITK Q08881 1/20 0.32

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
SCHEMBL4734620 0.89 MKNK1 (0.43) MKNK1MKNK2XDHCASP3SCN10A
SCHEMBL22492769 0.81 HTT (0.46) HTTHSD17B10KDM4ESMN1; SMN2
SCHEMBL5242504 0.81 HTT (0.46) HTTHSD17B10KDM4ESMN1; SMN2
SCHEMBL28391899 0.77 MKNK1 (0.46) MKNK1MKNK2HTTHSD17B10KDM4E
SCHEMBL4783818 0.74 MAPT (0.38) HTTHSD17B10KDM4EERN1MAPT
SCHEMBL1582996 0.74 ALDH1A1 (0.46) HTTHSD17B10KDM4EMAPTTSHR
SCHEMBL21326982 0.72 LMNA (0.36) MAPT
SCHEMBL4735127 0.72 MKNK1 (0.68) MKNK1MKNK2XDHSCN10AAXL
SCHEMBL14041696 0.71 HTT (0.65) MKNK1MKNK2HTTMAPTSMN1; SMN2
SCHEMBL4736049 0.71 HTT (0.65) MKNK1MKNK2HTTMAPTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008070350-A9 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS UNIV TEXAS (US) 2008-10-23 WO disclosed
WO-2008070350-A2 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-06-12 WO disclosed