SCHEMBL3500402

SCHEMBL3500402

CC(=O)C1C(=O)c2cccc(N)c2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.42
PTPRC P08575 1/20 0.42
SLC25A5 P05141 2/20 0.40
ALDH1A1 P00352 4/20 0.40
HBB P68871 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR2A P28223 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
DPP4 P27487 1/20 0.38
MAPT P10636 6/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
KDM4E B2RXH2 4/20 0.38
POLB P06746 1/20 0.38
FGR P09769 1/20 0.37
PIM1 P11309 1/20 0.37
MAOA P21397 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37

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
SCHEMBL14452740 0.82 ADORA2A (0.46) ADORA2APTPRCSLC25A5ALDH1A1HBB
SCHEMBL2112664 0.77 HBB (0.61) SLC25A5ALDH1A1HBBHSD17B10MAPT
SCHEMBL1115836 0.76 MAPT (0.50) ADORA2APTPRCSLC25A5ALDH1A1HBB
SCHEMBL6165759 0.75 MAPT (0.48) ALDH1A1HBBMAPTKMT2AKDM4E
SCHEMBL6383602 0.74 MAPT (0.62) PTPRCALDH1A1MAPTMEN1KMT2A
SCHEMBL8406221 0.68 ADORA2A (0.44) ADORA2APTPRCALDH1A1TMEM97DPP4
SCHEMBL3500770 0.68 TP53 (0.64) ADORA2APTPRCALDH1A1HSD17B10MAPT
Acetic Acid SCHEMBL11578055 0.67 ADORA2A (0.43) ADORA2APTPRCALDH1A1HTR2ATMEM97
SCHEMBL11778249 0.67 ADORA2A (0.43) ADORA2APTPRCALDH1A1HTR2ATMEM97
Acetic Acid SCHEMBL28261490 0.67 ADORA2A (0.79) ADORA2APTPRCALDH1A1HBBMAPT

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
US-20100133117-A1 METHODS FOR ELECTROCHEMICAL DETECTION/QUANTIFICATION OF A NUCLEIC ACID AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-06-03 US disclosed
WO-2008018833-A1 METHODS FOR ELECTROCHEMICAL DETECTION/QUANTIFICATION OF A NUCLEIC ACID AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-02-14 WO disclosed