SCHEMBL496905

SCHEMBL496905

O=C1c2ccccc2C(=O)c2c(O)c(C(Br)Br)cc(O)c21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
MAPT P10636 3/20 0.66
MAOA P21397 3/20 0.66
KMT2A Q03164 3/20 0.66
KDM4E B2RXH2 2/20 0.66
ALDH1A1 P00352 2/20 0.66
CYP3A4 P08684 2/20 0.66
HPGD P15428 2/20 0.66
ALOX15 P16050 2/20 0.66
ALOX12 P18054 2/20 0.66
MAPK1 P28482 2/20 0.66
RECQL P46063 2/20 0.66
DAPK1 P53355 2/20 0.66
CYP1B1 Q16678 2/20 0.66
HSD17B10 Q99714 2/20 0.66
TTR P02766 1/20 0.66
CYP1A1 P04798 1/20 0.66
HSPD1 P10809 1/20 0.66
ACHE P22303 1/20 0.66
MAOB P27338 1/20 0.66

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
SCHEMBL14304679 0.80 MEN1 (0.78) MEN1MAPTMAOAKMT2AKDM4E
Purpurin SCHEMBL29539242 0.80 MEN1 (1.00) MEN1MAPTMAOAKMT2AKDM4E
Purpurin SCHEMBL29429206 0.80 MEN1 (1.00) MEN1MAPTMAOAKMT2AKDM4E
Purpurin SCHEMBL33871 0.80 MEN1 (1.00) MEN1MAPTMAOAKMT2AKDM4E
SCHEMBL10930147 0.79 MEN1 (0.70) MEN1MAPTMAOAKMT2AKDM4E
Purpurin SCHEMBL18840047 0.78 MEN1 (0.96) MEN1MAPTMAOAKMT2AKDM4E
Purpurin SCHEMBL15205999 0.78 MEN1 (0.96) MEN1MAPTMAOAKMT2AKDM4E
Purpurin SCHEMBL4970376 0.78 MEN1 (0.96) MEN1MAPTMAOAKMT2AKDM4E
Purpurin SCHEMBL10574533 0.78 MEN1 (0.96) MEN1MAPTMAOAKMT2AKDM4E
Purpurin SCHEMBL9856657 0.78 MEN1 (0.96) MEN1MAPTMAOAKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8105477-B2 System and method for electrochemical detection of biological compounds HANDYLAB, INC. (US) 2012-01-31 US disclosed
US-20110039345-A1 SYSTEM AND METHOD FOR ELECTROCHEMICAL DETECTION OF BIOLOGICAL COMPOUNDS HANDYLAB, INC. (US) 2011-02-17 US disclosed
US-7820030-B2 System and method for electrochemical detection of biological compounds HANDYLAB, INC. (US) 2010-10-26 US disclosed
US-20060207891-A1 System and method for electrochemical detection of biological compounds HANDYLAB, INC. (US) 2006-09-21 US disclosed
WO-2004094986-A2 SYSTEM AND METHOD FOR ELECTROCHEMICAL DETECTION OF BIOLOGICAL COMPOUNDS HANDYLAB, INC. (US) 2004-11-04 WO disclosed