SCHEMBL2591004

SCHEMBL2591004

Fc1ccc2nc(NCc3ccccc3)nc(NCc3ccccc3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.68
LMNA P02545 3/20 0.66
MAPT P10636 2/20 0.66
KMT2A Q03164 2/20 0.66
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
PKM P14618 1/20 0.66
UBE2N P61088 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
RCE1 Q9Y256 1/20 0.66
PDE5A O76074 2/20 0.62
APP P05067 6/20 0.59
BCHE P06276 4/20 0.59
ACHE P22303 4/20 0.59
USP10 Q14694 1/20 0.56
PIK3C3 Q8NEB9 1/20 0.56
USP13 Q92995 1/20 0.56
F2RL1 P55085 1/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL2590399 0.90 RAD52 (0.70) RAD52LMNAMAPTKMT2AKDM4E
SCHEMBL2590855 0.85 RAD52 (0.82) RAD52LMNAMAPTKMT2AKDM4E
SCHEMBL2580376 0.85 RAD52 (0.76) RAD52LMNAMAPTKMT2AKDM4E
Hydrochloric Acid SCHEMBL3643618 0.84 MAPT (0.83) RAD52LMNAMAPTKMT2AKDM4E
SCHEMBL2590769 0.82 RAD52 (0.68) RAD52LMNAMAPTKMT2AKDM4E
SCHEMBL12175837 0.81 RAD52 (1.00) RAD52LMNAMAPTKMT2AKDM4E
SCHEMBL3642835 0.80 RAD52 (0.72) RAD52LMNAMAPTKMT2AKDM4E
SCHEMBL2590386 0.79 EGFR (0.70) RAD52LMNAMAPTKMT2AKDM4E
SCHEMBL12176032 0.78 RAD52 (0.70) RAD52LMNAMAPTKMT2AKDM4E
SCHEMBL3636951 0.78 RAD52 (0.69) RAD52LMNAMAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566480-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE California Institute of Technology (US) 2013-03-13 EP disclosed
WO-2011140527-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE CALIFORNIA INSTITUTE OF TECHNOLOGY AND THE UNIVERSITY OF KANSAS (US) 2011-11-10 WO disclosed
WO-2011140527-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE CALIFORNIA INSTITUTE OF TECHNOLOGY AND THE UNIVERSITY OF KANSAS (US) 2011-11-10 WO disclosed