SCHEMBL458382

SCHEMBL458382

CN(C)c1ccc(/N=N/c2ccc(N3C(=O)C=CC3=O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 11/20 0.52
FAAH O00519 4/20 0.52
MAPK1 P28482 5/20 0.52
ALDH1A1 P00352 4/20 0.52
TSHR P16473 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
HSD17B10 Q99714 2/20 0.52
NPC1 O15118 5/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
RAB9A P51151 4/20 0.49
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 2/20 0.49
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
TP53 P04637 1/20 0.46
HIF1A Q16665 1/20 0.46
PSMD14 O00487 1/20 0.45

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
SCHEMBL4289960 1.00 MGLL (0.52) MGLLFAAHMAPK1ALDH1A1TSHR
SCHEMBL27650867 0.95 MGLL (0.50) MGLLFAAHMAPK1ALDH1A1TSHR
SCHEMBL3759716 0.89 MGLL (0.65) MGLLFAAHMAPK1ALDH1A1TSHR
SCHEMBL11410714 0.85 MGLL (0.71) MGLLFAAHMAPK1ALDH1A1TDP1
SCHEMBL5150580 0.79 MGLL (0.52) MGLLFAAHMAPK1ALDH1A1TDP1
SCHEMBL8467655 0.79 HSP90AA1 (0.64) MGLLFAAHMAPK1ALDH1A1TDP1
SCHEMBL4289963 0.79 NPC1 (0.54) MGLLFAAHMAPK1ALDH1A1TSHR
SCHEMBL2696242 0.78 MGLL (0.65) MGLLFAAHMAPK1ALDH1A1TDP1
SCHEMBL2696243 0.78 MGLL (0.65) MGLLFAAHMAPK1ALDH1A1TDP1
SCHEMBL3665727 0.77 MGLL (0.65) MGLLFAAHMAPK1ALDH1A1TDP1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140087401-A1 Biomarkers for Assessment of the Molecular Quality in Biospecimens VORTMEYER ALEXANDER OLIVER (US) 2014-03-27 US claimed
WO-2012170669-A1 BIOMARKERS FOR ASSESSMENT OF THE MOLECULAR QUALITY IN BIOSPECIMENS YALE UNIVERSITY AVENUE (US) 2012-12-13 WO claimed
US-11952612-B2 Protease sensor molecules COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2024-04-09 US disclosed
EP-3538665-B1 PROTEASE SENSOR MOLECULES PPB TECH PTY LTD (AU) 2024-01-03 EP disclosed
US-20190345535-A1 PROTEASE SENSOR MOLECULES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2019-11-14 US disclosed
US-10281476-B2 Methods to identify modulators of RyR calcium channels REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2019-05-07 US disclosed
US-20150160216-A1 METHODS TO IDENTIFY MODULATORS OF RYR CALCIUM CHANNELS REGENTS OF THE UNIVERSITY OF MINNESOTA 2015-06-11 US disclosed
US-20140087401-A1 Biomarkers for Assessment of the Molecular Quality in Biospecimens VORTMEYER ALEXANDER OLIVER (US) 2014-03-27 US disclosed
US-8431356-B2 Fluorescence resonance energy transfer assays for sarco/endoplasmic reticulum calcium atpase and phospholamban REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-04-30 US disclosed
WO-2012170669-A1 BIOMARKERS FOR ASSESSMENT OF THE MOLECULAR QUALITY IN BIOSPECIMENS YALE UNIVERSITY AVENUE (US) 2012-12-13 WO disclosed
US-20120021926-A1 FLUORESCENCE RESONANCE ENERGY TRANSFER ASSAYS FOR SARCO/ENDOPLASMIC RETICULUM CALCIUM ATPASE AND PHOSPHOLAMBAN ZSEBO, KRISZTINA 2012-01-26 US disclosed