SCHEMBL468012

SCHEMBL468012

CC=CC=CC(=O)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.68
MEN1 O00255 5/20 0.68
MAPT P10636 4/20 0.68
ALDH1A1 P00352 3/20 0.68
HSP90AA1 P07900 2/20 0.68
HPGD P15428 2/20 0.68
NPSR1 Q6W5P4 2/20 0.68
MAPK1 P28482 1/20 0.68
CACNA1B Q00975 1/20 0.68
APBA1 Q02410 1/20 0.68
NLRP1 Q9C000 1/20 0.68
NPC1 O15118 1/20 0.62
PKM P14618 1/20 0.62
CCR6 P51684 1/20 0.62
APOBEC3G Q9HC16 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
POLB P06746 3/20 0.60
DDX3X O00571 1/20 0.60
HTT P42858 1/20 0.60
CTDSP1 Q9GZU7 1/20 0.60

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
SCHEMBL27746161 0.85 KMT2A (0.66) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL6794151 0.82 MEN1 (0.73) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL6794156 0.82 MEN1 (0.73) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL5149342 0.79 KMT2A (0.69) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL23547197 0.78 TRPV1 (0.73) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL6754378 0.78 TRPV1 (0.73) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL6754380 0.78 TRPV1 (0.73) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL1248559 0.76 SMN1; SMN2 (1.00) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL1047211 0.76 MEN1 (1.00) KMT2AMEN1MAPTMAPK1NPC1
SCHEMBL11763761 0.76 KMT2A (0.68) KMT2AMEN1MAPTALDH1A1HSP90AA1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3006023-A1 SORBIC ACID AND DERIVATIVES THEREOF TO ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL Los Angeles Biomedical Research Institute at Harbor-UCLA Medical Center (US) 2016-04-13 EP claimed
US-20150099015-A1 Sorbic and Benzoic Acid and Derivatives Thereof Enhance the Activity of a Neuropharmaceutical LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER 2015-04-09 US claimed
CN-102292094-A Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical 2011-12-21 CN claimed
EP-2389187-A1 SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL Los Angeles Biomedical Research Institute at Harbor-UCLA Medical Center (US) 2011-11-30 EP claimed
US-8040867-B2 Method of multi-antenna wireless data emission, emitter and receiver using the method MITSUBISHI ELECTRIC CORPORATION (JP) 2011-10-18 US claimed
WO-2010085452-A9 SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR - UCLA MEDICAL CENTER (US) 2011-01-06 WO claimed
US-20100189818-A1 SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2010-07-29 US claimed
WO-2010085452-A1 SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR - UCLA MEDICAL CENTER (US) 2010-07-29 WO claimed
US-11529342-B2 Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2022-12-20 US disclosed
EP-3006023-B1 SORBIC ACID AND DERIVATIVES THEREOF TO ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RES INST HARBOR UCLA MEDICAL CT (US) 2019-06-26 EP disclosed
US-20190151301-A1 SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2019-05-23 US disclosed
EP-3006024-B1 BENZOIC ACID OR SALTS THEREOF TO ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RES INST HARBOR UCLA MEDICAL CT (US) 2019-03-20 EP disclosed
US-10149845-B2 Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2018-12-11 US disclosed
US-10039730-B2 Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2018-08-07 US disclosed
CN-102292094-A Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical 2011-12-21 CN disclosed
EP-2389187-A1 SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL Los Angeles Biomedical Research Institute at Harbor-UCLA Medical Center (US) 2011-11-30 EP disclosed
US-8040867-B2 Method of multi-antenna wireless data emission, emitter and receiver using the method MITSUBISHI ELECTRIC CORPORATION (JP) 2011-10-18 US disclosed
WO-2010085452-A9 SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR - UCLA MEDICAL CENTER (US) 2011-01-06 WO disclosed
US-20100189818-A1 SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2010-07-29 US disclosed
WO-2010085452-A1 SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR - UCLA MEDICAL CENTER (US) 2010-07-29 WO disclosed