SCHEMBL4783818

SCHEMBL4783818

CN(C)C(=CC=O)c1ccc(-c2ccncc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 3/20 0.35
TSHR P16473 1/20 0.35
ERN1 O75460 1/20 0.35
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
ROCK2 O75116 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
BRAF P15056 1/20 0.32
WNT3A P56704 1/20 0.32
NEK2 P51955 1/20 0.32
CHEK2 O96017 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
SCHEMBL4734617 0.87 HIF1A (0.41) HIF1AEGLN1
SCHEMBL20509577 0.75 ALDH1A1 (0.47) MAPTSMN1; SMN2HSD17B10KDM4ELMNA
SCHEMBL5796703 0.75 KDM4E (0.48) MAPTSMN1; SMN2HSD17B10TSHRKDM4E
SCHEMBL22492769 0.74 HTT (0.46) SMN1; SMN2HIF1AHSD17B10KDM4EHTT
SCHEMBL5242504 0.74 HTT (0.46) SMN1; SMN2HIF1AHSD17B10KDM4EHTT
SCHEMBL4783822 0.74 MKNK1 (0.38) MAPTSMN1; SMN2HSD17B10TSHRERN1
SCHEMBL4736050 0.71 HTT (0.56) MAPTSMN1; SMN2HIF1AROCK2HTT
SCHEMBL31512829 0.70 P4HTM (0.52) MAPTHIF1AEGLN1KDM4ELMNA
SCHEMBL26603874 0.69 ALDH1A1 (0.48) MAPTSMN1; SMN2EGLN1KDM4ELMNA
SCHEMBL30617944 0.68 GSK3B (0.54) HIF1ATSHRCHEK2HDAC1HDAC6

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