SCHEMBL4734620

SCHEMBL4734620

CN(C)C(=CC=O)c1cncc(-c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.43
MKNK2 Q9HBH9 3/20 0.43
KAT6A Q92794 2/20 0.41
CTSA P10619 2/20 0.39
XDH P47989 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
FDPS P14324 2/20 0.36
CHRNA7 P36544 1/20 0.35
GRIN2B Q13224 1/20 0.35
CASP3 P42574 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
ABL1 P00519 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
SCHEMBL4783822 0.89 MKNK1 (0.38) MKNK1MKNK2XDHSCN10ACASP3
SCHEMBL28919959 0.76 ALDH1A1 (0.43)
SCHEMBL9683262 0.76 ALDH1A1 (0.43)
SCHEMBL9683260 0.76 ALDH1A1 (0.43)
SCHEMBL1582996 0.74 ALDH1A1 (0.46)
SCHEMBL21326982 0.72 LMNA (0.36) GRIN2B
SCHEMBL4734617 0.72 HIF1A (0.41) CTSAGRIN2B
SCHEMBL1652519 0.72 MKNK2 (0.68) MKNK1MKNK2KAT6ACTSAXDH
SCHEMBL1652518 0.71 RECQL (0.59) MKNK1MKNK2KAT6A
SCHEMBL14041927 0.71 RECQL (0.59) MKNK1MKNK2KAT6A

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