SCHEMBL2593693

SCHEMBL2593693

O=[N+]([O-])c1cccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
MAPT P10636 4/20 0.67
ALDH1A1 P00352 3/20 0.67
POLB P06746 2/20 0.67
MEN1 O00255 2/20 0.67
PDE5A O76074 4/20 0.64
KDM4E B2RXH2 2/20 0.59
GLA P06280 1/20 0.59
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ABCG2 Q9UNQ0 4/20 0.58
RAD52 P43351 1/20 0.57
NPSR1 Q6W5P4 2/20 0.57
BLM P54132 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPK1 P28482 1/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
UBE2N P61088 1/20 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
SCHEMBL3640101 0.82 RAD52 (0.79) KMT2AMAPTALDH1A1MEN1PDE5A
SCHEMBL12176293 0.81 SOS1 (0.72) KMT2AMAPTALDH1A1PDE5AKDM4E
SCHEMBL2590904 0.81 PDE5A (0.67) KMT2AMAPTALDH1A1MEN1PDE5A
SCHEMBL2583209 0.81 SOS1 (0.72) KMT2AMAPTALDH1A1MEN1PDE5A
SCHEMBL2588903 0.81 SOS1 (0.72) KMT2AMAPTALDH1A1MEN1PDE5A
SCHEMBL2583780 0.81 PDE5A (0.67) KMT2AMAPTALDH1A1MEN1PDE5A
SCHEMBL12176093 0.80 MEN1 (1.00) KMT2AMAPTALDH1A1POLBMEN1
SCHEMBL27223333 0.78 ABCG2 (0.68) KMT2AALDH1A1POLBMEN1PDE5A
SCHEMBL4867258 0.78 PDE5A (1.00) KMT2AMAPTALDH1A1POLBMEN1
SCHEMBL2583406 0.78 PDE5A (0.64) KMT2AMAPTALDH1A1PDE5AKDM4E

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