SCHEMBL2592385

SCHEMBL2592385

Cc1ccc(F)cc1Nc1nc(NCc2ccccc2)c2ccccc2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.60
KDM4E B2RXH2 2/20 0.60
MAPT P10636 2/20 0.60
KMT2A Q03164 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
MEN1 O00255 1/20 0.60
GAA P10253 1/20 0.60
MAPK1 P28482 1/20 0.60
HTT P42858 1/20 0.60
BLM P54132 1/20 0.60
NTRK1 P04629 3/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
PKM P14618 1/20 0.59
UBE2N P61088 1/20 0.59
RCE1 Q9Y256 1/20 0.59
BCHE P06276 4/20 0.58
ACHE P22303 4/20 0.58
APP P05067 3/20 0.57
SLC2A1 P11166 3/20 0.56

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
SCHEMBL12176086 0.86 RAD52 (0.60) RAD52KDM4EMAPTKMT2ANPSR1
SCHEMBL2593560 0.86 SLC2A1 (0.60) RAD52KDM4EMAPTKMT2ANPSR1
SCHEMBL14281045 0.86 SLC2A1 (0.73) RAD52KDM4EMAPTKMT2ANPSR1
SCHEMBL2590422 0.82 SLC2A1 (0.64) RAD52KDM4EMAPTKMT2ANPSR1
SCHEMBL2590485 0.81 MAPT (0.71) RAD52KDM4EMAPTKMT2ANPSR1
SCHEMBL12175850 0.81 MAPT (0.64) RAD52KDM4EMAPTKMT2ANPSR1
SCHEMBL2590855 0.80 RAD52 (0.82) RAD52KDM4EMAPTKMT2ANPSR1
SCHEMBL2583780 0.80 PDE5A (0.67) RAD52KDM4EMAPTKMT2ANPSR1
SCHEMBL2590870 0.80 SLC2A1 (0.60) RAD52KDM4EMAPTKMT2ANPSR1
SCHEMBL9776792 0.79 SLC2A1 (0.79) RAD52KDM4EMAPTKMT2ANPSR1

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