SCHEMBL2590796

SCHEMBL2590796

COc1ccc(Nc2nc(Nc3ccc(OC)cc3)c3ccccc3n2)cc1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.97
MERTK Q12866 5/20 0.84
KMT2A Q03164 5/20 0.74
MEN1 O00255 4/20 0.74
MAPT P10636 2/20 0.74
MAPK1 P28482 2/20 0.74
NPC1 O15118 2/20 0.74
RAB9A P51151 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
SLC2A1 P11166 1/20 0.74
ALDH1A1 P00352 1/20 0.74
TP53 P04637 1/20 0.74
ABCG2 Q9UNQ0 2/20 0.71
LMNA P02545 1/20 0.71
PTGS2 P35354 1/20 0.66
ABCC1 P33527 1/20 0.64
KDM1A O60341 1/20 0.64
POLB P06746 1/20 0.64
RAD52 P43351 1/20 0.64
GFER P55789 1/20 0.64

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
SCHEMBL8909187 0.99 NPY5R (1.00) NPY5RMERTKKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL8897702 0.99 NPY5R (0.94) NPY5RMERTKKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL8900478 0.97 NPY5R (0.97) NPY5RMERTKKMT2AMEN1MAPT
SCHEMBL16404473 0.96 NPY5R (0.89) NPY5RMERTKKMT2AMEN1MAPT
SCHEMBL8892916 0.93 NPY5R (0.85) NPY5RMERTKKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL8898666 0.92 NPY5R (0.83) NPY5RMERTKKMT2AMEN1MAPT
SCHEMBL8890079 0.91 NPY5R (0.81) NPY5RMERTKKMT2AMEN1MAPT
SCHEMBL8889343 0.90 NPY5R (0.79) NPY5RMERTKKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL8907334 0.90 NPY5R (0.83) NPY5RMERTKKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL8890008 0.90 NPY5R (0.79) NPY5RMERTKKMT2AMEN1MAPT

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 2 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