SCHEMBL2583400

SCHEMBL2583400

COc1c(F)cccc1Nc1nc(NCc2ccccc2)c2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.61
MAPT P10636 4/20 0.60
MAPK1 P28482 4/20 0.60
KDM4E B2RXH2 3/20 0.60
NPSR1 Q6W5P4 3/20 0.60
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
GAA P10253 1/20 0.60
HTT P42858 1/20 0.60
BLM P54132 1/20 0.60
RAD52 P43351 2/20 0.57
LMNA P02545 2/20 0.56
ALDH1A1 P00352 1/20 0.56
PKM P14618 1/20 0.56
UBE2N P61088 1/20 0.56
RCE1 Q9Y256 1/20 0.56
ACHE P22303 5/20 0.56
BCHE P06276 4/20 0.56
APP P05067 4/20 0.55
POLB P06746 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
SCHEMBL12175851 0.87 SLC2A1 (0.61) SLC2A1MAPTMAPK1KDM4ENPSR1
SCHEMBL2590485 0.86 MAPT (0.71) SLC2A1MAPTMAPK1KDM4ENPSR1
SCHEMBL12175850 0.85 MAPT (0.64) SLC2A1MAPTMAPK1KDM4ENPSR1
SCHEMBL2583768 0.83 RAD52 (0.71) SLC2A1MAPTMAPK1KDM4ENPSR1
SCHEMBL2593560 0.80 SLC2A1 (0.60) SLC2A1MAPTMAPK1KDM4ENPSR1
SCHEMBL14281045 0.79 SLC2A1 (0.73) SLC2A1MAPTMAPK1KDM4ENPSR1
SCHEMBL2592170 0.77 SLC2A1 (0.69) SLC2A1MAPTMAPK1KDM4ENPSR1
SCHEMBL12175853 0.77 KMT2A (0.71) SLC2A1MAPTMAPK1KDM4ENPSR1
SCHEMBL12176055 0.77 KDM4E (0.71) SLC2A1MAPTMAPK1KDM4ENPSR1
SCHEMBL2588106 0.76 KMT2A (0.72) SLC2A1MAPTMAPK1KDM4ENPSR1

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