SCHEMBL4067332

SCHEMBL4067332

O=C(NCCc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.82
SMN1; SMN2 Q16637 5/20 0.80
ALDH1A1 P00352 2/20 0.80
HPGD P15428 2/20 0.80
NPC1 O15118 5/20 0.77
RAB9A P51151 5/20 0.77
TAAR1 Q96RJ0 1/20 0.77
L3MBTL1 Q9Y468 2/20 0.63
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPT P10636 3/20 0.62
LMNA P02545 1/20 0.62
HTT P42858 1/20 0.62
THRB P10828 1/20 0.60
ALOX5 P09917 2/20 0.59
HDAC2 Q92769 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56

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
SCHEMBL8297310 0.89 SMN1; SMN2 (0.68) PKMSMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL11024162 0.87 RAB9A (1.00) PKMSMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL7713793 0.85 ALOX5 (0.73) PKMSMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL6962971 0.84 SMN1; SMN2 (0.89) PKMSMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL10160183 0.83 SMN1; SMN2 (0.85) PKMSMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL2216336 0.83 LMNA (0.66) PKMSMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL31190263 0.82 CA1 (0.60) PKMSMN1; SMN2ALDH1A1HPGDNPC1
Nitric Acid SCHEMBL18329349 0.82 RAB9A (0.76) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL11839067 0.80 CYP1A2 (0.63) PKMSMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL6967304 0.80 ALDH1A1 (0.93) PKMSMN1; SMN2ALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112191238-B (S) -BIONL derivative CSP filler and preparation method and application thereof 昆明医科大学 2021-08-24 CN disclosed
CN-112191238-B (S) -BIONL derivative CSP filler and preparation method and application thereof 昆明医科大学 2021-08-24 CN disclosed
CN-111992196-B (R) -BIONL derivative CSP filler and preparation method and application thereof 昆明医科大学 2021-05-18 CN disclosed
CN-111992196-B (R) -BIONL derivative CSP filler and preparation method and application thereof 昆明医科大学 2021-05-18 CN disclosed
CN-112191238-A (S) -BIONL derivative CSP filler and preparation method and application thereof 昆明医科大学 2021-01-08 CN disclosed
CN-112191238-A (S) -BIONL derivative CSP filler and preparation method and application thereof 昆明医科大学 2021-01-08 CN disclosed
CN-111992196-A (R) -BIONL derivative CSP filler and preparation method and application thereof 昆明医科大学 2020-11-27 CN disclosed
CN-111992196-A (R) -BIONL derivative CSP filler and preparation method and application thereof 昆明医科大学 2020-11-27 CN disclosed
EP-2731956-A1 P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS Centre National de la Recherche Scientifique (C.N.R.S.) (FR) 2014-05-21 EP disclosed
WO-2013007724-A1 P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-01-17 WO disclosed
WO-2009094457-A2 SUBSTITUTED BENZHYDRYLETHERS AUSPEX PHARMACEUTICALS (US) 2009-07-30 WO disclosed
WO-2008151179-A2 SUBSTITUTED PHENETHYLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-12-11 WO disclosed
EP-0787116-A1 PROCESS FOR SEPARATING ENANTIOMERS FROM A RACEMIC MIXTURE Akzo Nobel N.V. (NL) 1997-08-06 EP disclosed
WO-1996011894-A1 PROCESS FOR SEPARATING ENANTIOMERS FROM A RACEMIC MIXTURE AKZO NOBEL N.V. (NL) 1996-04-25 WO disclosed
EP-0663897-A1 PROCESS FOR SEPARATING ENANTIOMERS FROM A RACEMIC MIXTURE. AKZO NOBEL NV (NL) 1995-07-26 EP disclosed
US-5338454-A Chiral mobile phase additive having opposite chirality as chiral stationary phase SUPELCO, INCORPORATED (US) 1994-08-16 US disclosed
WO-1994007814-A1 PROCESS FOR SEPARATING ENANTIOMERS FROM A RACEMIC MIXTURE AKZO NOBEL N.V. (NL) 1994-04-14 WO disclosed
EP-0108813-A1 GRAFTED CHROMATOGRAPHIC FILLER AND METHOD FOR ANALYZING ENANTIOMER MIXTURE USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-23 EP disclosed
EP-0105745-A2 Packing materials for chromatographic use and their employment in analysing enantiomeric mixtures SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-04-18 EP disclosed