SCHEMBL2724271

SCHEMBL2724271

Nc1ccc(N(c2cccc(O)c2)c2cccc(O)c2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
CYP3A4 P08684 2/20 0.40
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.35
CA5A P35218 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
HSD17B1 P14061 9/20 0.35
HSD17B2 P37059 8/20 0.35
SRC P12931 1/20 0.33
ENPP2 Q13822 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PDK1 Q15118 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
SCHEMBL2355267 0.73 ALDH1A1 (0.65) ALDH1A1TSHRCYP3A4CA12CA2
SCHEMBL31256035 0.73 ALDH1A1 (0.65) ALDH1A1TSHRCYP3A4CA12CA2
SCHEMBL656240 0.71 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4CA12CA2
SCHEMBL13104523 0.68 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4CA12CA2
SCHEMBL1672628 0.68 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4CA12CA2
SCHEMBL30415742 0.68 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4CA12CA2
SCHEMBL8581862 0.67 ALDH1A1 (0.67) ALDH1A1TSHRCYP3A4CA12CA2
SCHEMBL22683197 0.67 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4CA12CA2
SCHEMBL23424279 0.67 ALDH1A1 (0.40) ALDH1A1TSHRCYP3A4CA12CA2
SCHEMBL8819150 0.66 ALDH1A1 (0.56) ALDH1A1TSHRCYP3A4CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130309690-A1 TETRAMERIC ALPHA-SYNUCLEIN AS BIOMARKERS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2013-11-21 US disclosed
US-20130289022-A1 TETRAMERIC ALPHA-SYNUCLEIN AND USE THEREOF BRANDEIS UNIVERSITY (US) 2013-10-31 US disclosed
WO-2012061789-A2 TETRAMERIC ALPHA-SYNUCLEIN AND USE THEREOF BRANDEIS UNIVERSITY (US) 2012-05-10 WO disclosed
WO-2012061788-A2 TETRAMERIC ALPHA-SYNUCLEIN AS BIOMARKERS BRANDEIS UNIVERSITY (US) 2012-05-10 WO disclosed