SCHEMBL397794

SCHEMBL397794

CCCOc1ccc([N+](=O)[O-])cc1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.64
MAPT P10636 5/20 0.57
ALDH1A1 P00352 3/20 0.57
HTT P42858 2/20 0.57
KMT2A Q03164 2/20 0.57
GAA P10253 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
USP2 O75604 1/20 0.57
TP53 P04637 1/20 0.57
POLB P06746 1/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
ATM Q13315 1/20 0.57
CYP19A1 P11511 6/20 0.56
CYP3A4 P08684 3/20 0.51
TSHR P16473 1/20 0.51
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
THRB P10828 1/20 0.47

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
SCHEMBL29469600 1.00 TDP1 (0.64) TDP1MAPTALDH1A1HTTKMT2A
SCHEMBL700418 0.92 TDP1 (0.62) TDP1MAPTALDH1A1HTTKMT2A
SCHEMBL8977128 0.91 TDP1 (0.60) TDP1MAPTALDH1A1HTTKMT2A
SCHEMBL11233176 0.90 TDP1 (0.67) TDP1MAPTALDH1A1HTTKMT2A
SCHEMBL3294199 0.89 HTT (0.63) TDP1MAPTALDH1A1HTTKMT2A
SCHEMBL11232774 0.89 TDP1 (0.65) TDP1MAPTALDH1A1HTTKMT2A
SCHEMBL11224639 0.89 TDP1 (0.65) TDP1MAPTALDH1A1HTTKMT2A
SCHEMBL700508 0.87 TDP1 (0.68) TDP1MAPTALDH1A1HTTKMT2A
SCHEMBL11428399 0.87 TDP1 (0.59) TDP1MAPTALDH1A1HTTKMT2A
SCHEMBL3128423 0.86 TDP1 (0.67) TDP1MAPTALDH1A1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112057418-B Fudosteine oral liquid and preparation method thereof 广州帝奇医药技术有限公司 2023-05-12 CN claimed
WO-2022013205-A1 USE OF AN ACTIVATED PECTIN-CONTAINING APPLE FIBER FOR PRODUCING A BAKING-STABLE FAT-CONTAINING CRÈME HERBSTREITH & FOX GMBH & CO. KG PEKTIN-FABRIKEN (DE) 2022-01-20 WO claimed
CN-112057418-A Fudosteine oral liquid and preparation method thereof 广州帝奇医药技术有限公司 2020-12-11 CN claimed
EP-2499484-B1 MATERIAL AND METHOD FOR TRAPPING, DETECTING AND QUANTIFYING AROMATIC HETEROCYCLIC COMPOUNDS AND OTHERS COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-06-28 EP claimed
US-9018016-B2 Material and method for trapping, detecting and quantifying heterocyclic aromatic compounds and others COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-04-28 US claimed
CN-103751943-A Fire extinguishing composition containing nitrogenous organic compound XI AN JIAN RUI SAFETY EMERGENCY EQUIPMENT LTD LIABILITY COMPANY 2014-04-30 CN claimed
US-20120295363-A1 MATERIAL AND METHOD FOR TRAPPING, DETECTING AND QUANTIFYING HETEROCYCLIC AROMATIC COMPOUNDS AND OTHERS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-11-22 US claimed
EP-2499484-A1 MATERIAL AND METHOD FOR TRAPPING, DETECTING AND QUANTIFYING HETEROCYCLIC AROMATIC COMPOUNDS AND OTHERS Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2012-09-19 EP claimed
US-20080260925-A1 Taste, texture; digestive tolerance; sweetness with minimized glycemic impact; combination of high molecular weight bulking agents, substantially nondigestible sugars, low molecular weight sugar alcohols and high intensity artificial sweetening agents ZINK GALEN PAUL 2008-10-23 US claimed
US-20060093720-A1 Pumpable, semi-solid low calorie sugar substitute compositions TATZ ED 2006-05-04 US claimed
EP-3823455-B1 COMPOSITION FOR SUBSTITUTING SUGAR IN BAKED GOODS SYMRISE AG (DE) 2025-10-01 EP disclosed
EP-4223144-B1 USE OF AN ACTIVATABLE, DEESTERIFIED PECTIN-CONVERTED FRUIT FIBRE FOR THE MANUFACTURE OF A COOK-IN BRINE HERBSTREITH & FOX GMBH & CO KG PEKTIN FABRIKEN (DE) 2024-07-17 EP disclosed
US-20230329275-A1 CONFECTIONERY COMPOSITIONS CARGILL, INCORPORATED (US) 2023-10-19 US disclosed
US-20230329274-A1 CONFECTIONERY COMPOSITIONS CARGILL, INCORPORATED (US) 2023-10-19 US disclosed
EP-4223144-A1 USE OF AN ACTIVATABLE, DEESTERIFIED PECTIN-CONVERTED FRUIT FIBRE FOR THE MANUFACTURE OF A COOK-IN BRINE Herbstreith & Fox GmbH & Co. KG Pektin-Fabriken (DE) 2023-08-09 EP disclosed
US-4810516-A Reduced calorie and reduced fat chocolate confectionery compositions THE PROCTER & GAMBLE COMPANY (US) 1989-03-07 US disclosed
EP-0285187-A1 Reduced calorie and reduced fat chocolate confectionery compositions THE PROCTER & GAMBLE COMPANY (US) 1988-10-05 EP disclosed
EP-0055689-B1 3-SUBSTITUTED 2,4,6-TRIHALOGENOBENZAMIDES AND THEIR SALTS, THEIR PREPARATION AND THEIR USE AS SUBSTITUTES FOR NATURAL SWEETENING AGENTS, AND SWEETENERS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1984-07-04 EP disclosed
EP-0055689-A1 3-Substituted 2,4,6-trihalogenobenzamides and their salts, their preparation and their use as substitutes for natural sweetening agents, and sweeteners containing them SCHERING AKTIENGESELLSCHAFT (DE) 1982-07-07 EP disclosed
US-3981717-A ANILINO COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1976-09-21 US disclosed