SCHEMBL2590422

SCHEMBL2590422

Cc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1F

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.64
RAD52 P43351 1/20 0.60
PKM P14618 2/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
UBE2N P61088 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
RCE1 Q9Y256 1/20 0.59
BCHE P06276 4/20 0.58
ACHE P22303 4/20 0.58
PDE5A O76074 1/20 0.58
APP P05067 3/20 0.57
CTNNB1 P35222 1/20 0.55
TCF7L2 Q9NQB0 1/20 0.55

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
SCHEMBL2592170 0.86 SLC2A1 (0.69) SLC2A1RAD52PKMKMT2AKDM4E
SCHEMBL12175981 0.83 SLC2A1 (0.76) SLC2A1RAD52PKMKMT2AKDM4E
SCHEMBL2583780 0.82 PDE5A (0.67) SLC2A1RAD52PKMKMT2AKDM4E
SCHEMBL12176293 0.82 SOS1 (0.72) SLC2A1RAD52PKMKMT2AKDM4E
SCHEMBL2592385 0.82 RAD52 (0.60) SLC2A1RAD52PKMKMT2AKDM4E
SCHEMBL2590870 0.82 SLC2A1 (0.60) SLC2A1RAD52PKMKMT2AKDM4E
SCHEMBL3640101 0.81 RAD52 (0.79) SLC2A1RAD52PKMKMT2AKDM4E
SCHEMBL12176129 0.80 SLC2A1 (0.73) SLC2A1RAD52PKMKMT2AKDM4E
SCHEMBL12176297 0.78 SLC2A1 (0.72) SLC2A1RAD52PKMKMT2AKDM4E
SCHEMBL14281045 0.78 SLC2A1 (0.73) SLC2A1RAD52PKMKMT2AKDM4E

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