SCHEMBL2592216

SCHEMBL2592216

Fc1ccccc1CNc1nc(NCc2ccccc2)c2ccccc2n1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.76
MAPT P10636 2/20 0.74
KDM4E B2RXH2 1/20 0.74
ALDH1A1 P00352 1/20 0.74
LMNA P02545 1/20 0.74
PKM P14618 1/20 0.74
UBE2N P61088 1/20 0.74
KMT2A Q03164 1/20 0.74
NPSR1 Q6W5P4 1/20 0.74
RCE1 Q9Y256 1/20 0.74
ACHE P22303 7/20 0.67
APP P05067 7/20 0.67
BCHE P06276 5/20 0.67
POLB P06746 1/20 0.62
MAPK1 P28482 1/20 0.62
NTRK1 P04629 1/20 0.61
CASP6 P55212 1/20 0.59

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
SCHEMBL12175837 0.87 RAD52 (1.00) RAD52MAPTKDM4EALDH1A1LMNA
SCHEMBL2590855 0.85 RAD52 (0.82) RAD52MAPTKDM4EALDH1A1LMNA
SCHEMBL12175948 0.84 RAD52 (0.76) RAD52MAPTKDM4EALDH1A1LMNA
SCHEMBL2587260 0.84 RAD52 (0.76) RAD52MAPTKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL3643618 0.83 MAPT (0.83) RAD52MAPTKDM4EALDH1A1LMNA
SCHEMBL30092987 0.83 BCHE (0.70) RAD52MAPTKDM4EALDH1A1LMNA
SCHEMBL21567249 0.83 BCHE (0.70) RAD52MAPTKDM4EALDH1A1LMNA
SCHEMBL2590485 0.83 MAPT (0.71) RAD52MAPTKDM4EALDH1A1LMNA
SCHEMBL2580376 0.81 RAD52 (0.76) RAD52MAPTKDM4EALDH1A1LMNA
SCHEMBL12175940 0.81 SLC2A1 (0.70) RAD52MAPTKDM4EALDH1A1LMNA

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