SCHEMBL4847221

SCHEMBL4847221

O=[N+]([O-])c1ccc2nc(CCl)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
CYP3A4 P08684 3/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
CYP1A2 P05177 1/20 0.48
SLC6A4 P31645 1/20 0.48
CYP2C19 P33261 1/20 0.48
THPO P40225 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
TTR P02766 1/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
ALOX15 P16050 1/20 0.44
NOS1 P29475 1/20 0.44
TSHR P16473 2/20 0.44
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44

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
SCHEMBL6585706 0.89 MAPT (0.46) ALDH1A1CYP3A4CYP1A2MAPTLMNA
SCHEMBL10534058 0.88 NPC1 (0.46) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL9827466 0.86 TTR (0.43) ALDH1A1CYP3A4HTR3EHTR3BCYP1A2
SCHEMBL5765507 0.84 ALDH1A1 (0.48) ALDH1A1CYP3A4HTR3EHTR3BCYP1A2
SCHEMBL6233656 0.84 ALDH1A1 (0.48) ALDH1A1CYP3A4HTR3EHTR3BCYP1A2
SCHEMBL14127817 0.81 KDM4E (0.55) ALDH1A1CYP3A4HTR3EHTR3BCYP1A2
SCHEMBL5936119 0.80 MAPT (0.46) ALDH1A1CYP3A4HTR3EHTR3BCYP1A2
SCHEMBL14094656 0.80 ALDH1A1 (0.46) ALDH1A1CYP3A4HTR3EHTR3BCYP1A2
SCHEMBL6271582 0.80 HTR3E (0.45) ALDH1A1CYP3A4HTR3EHTR3BCYP1A2
SCHEMBL31434444 0.79 MAPT (0.48) ALDH1A1CYP3A4HTR3EHTR3BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
EP-0784052-B1 Quinoline derivatives as antagonists of leukotriene d4, compositions containing the same and processes for their preparation AVENTIS HOLDINGS INC (US) 2004-09-01 EP disclosed
US-6635655-B1 Agonists or antagonists of peroxisome proliferator-activated receptors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-21 US disclosed
EP-1267874-A2 THERAPEUTIC USES OF PPAR MEDIATORS Aventis Pharma Deutschland GmbH (DE) 2003-01-02 EP disclosed
EP-1030665-A4 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARM PROD INC (US) 2002-11-27 EP disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
EP-1177187-A1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2001066098-A2 THERAPEUTIC USES OF PPAR MEDIATORS AVENTIS PHARMA DEUTSCHLAND GMBH 2001-09-13 WO disclosed
WO-2000064888-A1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed
EP-1030665-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES Aventis Pharmaceuticals Products Inc. (US) 2000-08-30 EP disclosed
WO-1989012628-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-12-28 WO disclosed
EP-0348155-A1 Quinoline derivatives as antagonists of leukotriene D4, compositions containing the same and processes for their preparation RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1989-12-27 EP disclosed
US-4822793-A Benzazepine antiarrhythmic agents PFIZER INC. (US) 1989-04-18 US disclosed
EP-0285323-A1 Antiarrhythmic agents Pfizer Limited (GB) 1988-10-05 EP disclosed
EP-0281254-A1 Antiarrythmic agents Pfizer Limited (GB) 1988-09-07 EP disclosed
EP-0260305-A4 QUINOLINYL ETHER TETRAZOLE AS AGENT FOR THE TREATMENT OF HYPERSENSITIVE AILMENTS. RORER INTERNAT OVERSEAS INC (US) 1988-07-04 EP disclosed
EP-0260305-A1 QUINOLINYL ETHER TETRAZOLE AS AGENT FOR THE TREATMENT OF HYPERSENSITIVE AILMENTS. RORER INT OVERSEAS (US) 1988-03-23 EP disclosed
WO-1987005510-A1 QUINOLINYL ETHER OR THIOETHER TETRAZOLES AS AGENTS FOR THE TREATMENT OF HYPERSENSITIVE AILMENTS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1987-09-24 WO disclosed
US-4432847-A AND UNSATURATED HYDROCARBON TO FORM REACTION PRODUCT, THEN OXIDATION STANDARD OIL COMPANY (INDIANA) (US) 1984-02-21 US disclosed
US-4095029-A BIOCIDES, FUNGICIDES, RUST INHIBITORS, LUBRICATING GREASE ADDITIVES STANDARD OIL COMPANY (INDIANA) (US) 1978-06-13 US disclosed