SCHEMBL455174

SCHEMBL455174

O=C(CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)Nc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.72
PKM P14618 1/20 0.56
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 1/20 0.50
MITF O75030 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL10904297 0.84 ALOX5 (1.00) ALOX5PKMMEN1KMT2AMAPT
SCHEMBL455113 0.80 ALOX5 (0.76) ALOX5PKMALDH1A1MEN1KMT2A
SCHEMBL11340446 0.79 PKM (0.56) ALOX5PKMALDH1A1MEN1KMT2A
SCHEMBL3050069 0.79 MEN1 (0.67) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL15962026 0.78 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL4745815 0.78 ALOX5 (0.71) ALOX5PKMALDH1A1MEN1KMT2A
SCHEMBL2646586 0.77 ALOX5 (0.62) ALOX5PKMALDH1A1MEN1KMT2A
SCHEMBL7713793 0.77 ALOX5 (0.73) ALOX5PKMALDH1A1MEN1KMT2A
SCHEMBL4956741 0.77 CYP1A2 (0.56) ALOX5ALDH1A1MEN1KMT2AMAPT
SCHEMBL8299418 0.77 CYP1A2 (0.48) ALOX5ALDH1A1MEN1KMT2AMAPT

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-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
US-20120064601-A1 Chromatography Membranes for the Purification of Chiral Compounds NATRIX SEPARATIONS INC. (CA) 2012-03-15 US 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