SCHEMBL453156

SCHEMBL453156

N[C@H](c1ccccc1)[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.55
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
PTBP1 P26599 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL453157 1.00 ALOX5 (0.55) ALOX5ALDH1A1PKMLMNAHPGD
SCHEMBL453158 1.00 ALOX5 (0.55) ALOX5ALDH1A1PKMLMNAHPGD
SCHEMBL4944707 0.80 ALOX5 (0.50) ALOX5ALDH1A1PKMLMNAHPGD
SCHEMBL4944708 0.80 ALOX5 (0.50) ALOX5ALDH1A1PKMLMNAHPGD
SCHEMBL3009798 0.80 ALOX5 (0.50) ALOX5ALDH1A1PKMLMNAHPGD
SCHEMBL348443 0.80 ALOX5 (0.50) ALOX5ALDH1A1PKMLMNAHPGD
SCHEMBL348444 0.80 ALOX5 (0.50) ALOX5ALDH1A1PKMLMNAHPGD
SCHEMBL3069141 0.80 ALOX5 (0.58) ALOX5ALDH1A1LMNAHTTMEN1
SCHEMBL1285898 0.80 ALOX5 (0.58) ALOX5ALDH1A1PKMLMNAHPGD
SCHEMBL1708187 0.80 ALOX5 (0.58) ALOX5ALDH1A1PKMLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616169-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS Natrix Separations Inc. (CA) 2013-07-24 EP claimed
WO-2012037101-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS NATRIX SEPARATIONS INC. (CA) 2012-03-22 WO claimed
EP-2616169-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS Natrix Separations Inc. (CA) 2013-07-24 EP disclosed
WO-2012037101-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS NATRIX SEPARATIONS INC. (CA) 2012-03-22 WO disclosed
US-20120064601-A1 Chromatography Membranes for the Purification of Chiral Compounds NATRIX SEPARATIONS INC. (CA) 2012-03-15 US disclosed