SCHEMBL4734617

SCHEMBL4734617

CN(C)C(=CC=O)c1ccc(-c2ccccc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.41
CTSA P10619 1/20 0.38
HTR2C P28335 1/20 0.36
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
USP30 Q70CQ3 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
GRIN2B Q13224 3/20 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
SCHEMBL4783818 0.87 MAPT (0.38) HIF1AEGLN1
SCHEMBL20509577 0.76 ALDH1A1 (0.47) MEN1KMT2A
SCHEMBL4734620 0.72 MKNK1 (0.43) CTSAGRIN2B
SCHEMBL6264166 0.71 MAPT (0.53) HIF1ACTSAUSP30MEN1KMT2A
SCHEMBL4782035 0.71 RECQL (0.57) HIF1AMEN1KMT2A
SCHEMBL29929320 0.70 HIF1A (0.55) HIF1ACTSA
SCHEMBL9683260 0.70 ALDH1A1 (0.43) HIF1AMEN1KMT2ATDP1
SCHEMBL28919959 0.70 ALDH1A1 (0.43) HIF1AMEN1KMT2ATDP1
SCHEMBL9683262 0.70 ALDH1A1 (0.43) HIF1AMEN1KMT2ATDP1
SCHEMBL71034 0.70 HIF1A (0.55) HIF1ACTSA

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