SCHEMBL6234820

SCHEMBL6234820

CC(CO)c1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.41
S100A4 P26447 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 2/20 0.38
PKM P14618 2/20 0.38
RAB9A P51151 1/20 0.38
ALOX12 P18054 2/20 0.36
ALOX15 P16050 1/20 0.36
ERN1 O75460 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 1/20 0.35
ACE2 Q9BYF1 2/20 0.35
PMM2 O15305 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4307215 0.88 S100A4 (0.37) PDK1S100A4TRPV1KDM4EMAPK1
SCHEMBL17361846 0.84 S100A4 (0.42) PDK1S100A4TRPV1KDM4EMAPK1
SCHEMBL30558351 0.84 S100A4 (0.42) PDK1S100A4TRPV1KDM4EMAPK1
SCHEMBL27839175 0.82 PDK1 (0.44) PDK1S100A4TRPV1KDM4EMAPK1
SCHEMBL2318709 0.82 PDK1 (0.54) PDK1S100A4TRPV1KDM4EMAPK1
SCHEMBL4435847 0.81 PDK1 (0.41) PDK1KDM4EMAPK1ALOX12ALOX15
SCHEMBL17361847 0.79 PDK1 (0.42) PDK1S100A4TRPV1KDM4EMAPK1
SCHEMBL4300489 0.79 ALDH1A1 (0.41) PDK1KDM4EMAPK1PKMRAB9A
SCHEMBL21319 0.79 CASP6 (0.57) PDK1MEN1KMT2ALMNAACE2
SCHEMBL2019613 0.79 S100A4 (0.43) PDK1S100A4TRPV1KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598019-B2 Method for cleavage of labile functional groups from chemical compounds UNIVERSITAT KONSTANZ (DE) 2009-10-06 US disclosed
US-7598019-B2 Method for cleavage of labile functional groups from chemical compounds UNIVERSITAT KONSTANZ (DE) 2009-10-06 US disclosed
US-20050170281-A1 Method of cleaving labile functional groups from chemical compounds NIMBLEGEN SYSTEMS, INC. 2005-08-04 US disclosed
EP-1519941-A2 A METHOD OF CLEAVING LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS Chemogenix GmbH (DE) 2005-04-06 EP disclosed
EP-1480927-A2 A METHOD FOR CLEAVAGE OF LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS Universität Konstanz (DE) 2004-12-01 EP disclosed
WO-2004089529-A1 METHOD FOR THE INTRAMOLECULAR ENERGY TRANSFER FOR THE CLEAVAGE OF LABILE FUNCTIONAL GROUP FROM BIOMOLECULES AND THE PROTECTED BIOMOLECULES Universität Konstanz (DE) 2004-10-21 WO disclosed
WO-2004001033-A2 A METHOD OF CLEAVING LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS CHEMOGENIX GMBH (DE) 2003-12-31 WO disclosed
WO-2003074542-A2 A METHOD FOR CLEAVAGE OF LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS Universität Konstanz (DE) 2003-09-12 WO disclosed