SCHEMBL4368018

SCHEMBL4368018

CCCC(=O)Oc1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.61
CTNNB1 P35222 1/20 0.61
ALOX15 P16050 1/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
APAF1 O14727 1/20 0.40
POLB P06746 1/20 0.40
GRK2 P25098 1/20 0.40

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
SCHEMBL4218678 0.89 KMT2A (0.46) BCL9CTNNB1ALOX15KMT2AMEN1
SCHEMBL12065295 0.85 BCL9 (0.59) BCL9CTNNB1ALOX15KMT2AMEN1
SCHEMBL27768435 0.84 BCL9 (0.62) BCL9CTNNB1ALOX15KMT2AMEN1
SCHEMBL27646623 0.83 BCL9 (0.61) BCL9CTNNB1ALOX15KMT2AMEN1
SCHEMBL29402294 0.82 BCL9 (0.62) BCL9CTNNB1ALOX15KMT2AMEN1
SCHEMBL4380543 0.82 BCL9 (0.62) BCL9CTNNB1ALOX15KMT2AMEN1
SCHEMBL2728942 0.82 PTGDR2 (0.45) KMT2AMEN1L3MBTL1ALDH1A1TDP1
SCHEMBL27491823 0.81 BCL9 (0.61) BCL9CTNNB1KMT2AMEN1ALDH1A1
SCHEMBL16005411 0.80 BCL9 (0.59) BCL9CTNNB1ALOX15KMT2AMEN1
SCHEMBL4371315 0.78 BCL9 (0.54) BCL9CTNNB1ALOX15KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885721-B1 METAL CHELATES OF POLYAMINOCARBOXYLIC MACROCYCLIC DERIVATIVES AND USE THEREOF IN DIAGNOSTIC IMAGING GUERBET SA (FR) 2009-07-29 EP disclosed
EP-1885721-A2 METAL CHELATES OF POLYAMINOCARBOXYLIC MACROCYCLIC DERIVATIVES AND USE THEREOF IN DIAGNOSTIC IMAGING GUERBET (FR) 2008-02-13 EP disclosed
EP-1480979-B1 GADOLINIUM CHELATE OLIGOMERS, THEIR USE AS CONTRAST PRODUCTS IN MAGNETIC RESONANCE IMAGING AND THEIR SYNTHESIS INTERMEDIATES GUERBET SA (FR) 2007-05-02 EP disclosed
WO-2006100305-A2 METAL CHELATES OF POLYAMINOCARBOXYLIC MACROCYCLIC DERIVATIVES AND USE THEREOF IN DIAGNOSTIC IMAGING GUERBET (FR) 2006-09-28 WO disclosed
EP-1480979-A2 GADOLINIUM CHELATE OLIGOMERS, THEIR USE AS CONTRAST PRODUCTS IN MAGNETIC RESONANCE IMAGING AND THEIR SYNTHESIS INTERMEDIATES GUERBET (FR) 2004-12-01 EP disclosed
WO-2003074523-A2 GADOLINIUM CHELATE OLIGOMERS, THEIR USE AS CONTRAST PRODUCTS IN MAGNETIC RESONANCE IMAGING AND THEIR SYNTHESIS INTERMEDIATES GUERBET (FR) 2003-09-12 WO disclosed