SCHEMBL9065016

SCHEMBL9065016

O=C(O)c1cc2ccccc2nc1C1=NCCN1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NISCH Q9Y2I1 11/20 0.50
KDM4E B2RXH2 4/20 0.50
CYP1A2 P05177 4/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
LMNA P02545 1/20 0.49
PMP22 Q01453 1/20 0.49
ADRA2A P08913 2/20 0.42
HPGD P15428 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ACHE P22303 1/20 0.39

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
SCHEMBL8807038 0.79 SMN1; SMN2 (0.56) TSHRSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL9246331 0.78 NISCH (0.54) SMN1; SMN2NISCHKDM4ECYP1A2ALDH1A1
SCHEMBL9868117 0.77 NISCH (0.55) NISCHKDM4ECYP1A2ALDH1A1CYP2D6
SCHEMBL6824337 0.75 NISCH (0.56) NISCHKDM4ECYP1A2ALDH1A1CYP2D6
SCHEMBL3912410 0.75 PDE10A (0.56) TSHRSMN1; SMN2KDM4EALDH1A1LMNA
Pyromellitic Acid SCHEMBL216326 0.74 NISCH (0.71) TSHRNISCHCYP1A2ALDH1A1LMNA
SCHEMBL8936695 0.73 NISCH (0.41) NISCHLMNAMAOAMAOB
SCHEMBL27546361 0.73 TSHR (0.64) TSHRSMN1; SMN2KDM4EALDH1A1ADRA2A
SCHEMBL5458072 0.73 DHODH (0.54) TSHRSMN1; SMN2KDM4ECYP1A2ALDH1A1
SCHEMBL1836133 0.73 KDM4E (0.61) TSHRSMN1; SMN2NISCHKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3024045-A None JP disclosed
EP-0548560-B1 Process for the manufacturing of halomaleic and halofumaric esters AMERICAN CYANAMID CO (US) 1996-01-10 EP disclosed
US-5478795-A Selective postemergence control of undesirable plant species in the presence of crops AMERICAN CYANAMID COMPANY (US) 1995-12-26 US disclosed
EP-0402561-B1 Process for the manufacture of anilinofumarate via chloromaleate or chlorofumarate or mixtures thereof AMERICAN CYANAMID CO (US) 1994-10-05 EP disclosed
EP-0548560-A2 Process for the manufacturing of halomaleic and halofumaric esters AMERICAN CYANAMID COMPANY (US) 1993-06-30 EP disclosed
US-5214198-A Dehydrohalogenation, phase tranfer catalyst AMERICAN CYANAMID COMPANY (US) 1993-05-25 US disclosed
US-5030271-A Isopropylammonium 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinate and 5-ethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid AMERICAN CYANAMID COMPANY (US) 1991-07-09 US disclosed
US-5030271-A Isopropylammonium 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinate and 5-ethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid AMERICAN CYANAMID COMPANY (US) 1991-07-09 US disclosed
US-5001254-A Novel method for the preparation of quinoline-2,3-dicarboxylic AMERICAN CYANAMID COMPANY 1991-03-19 US disclosed
US-4996350-A Solvent-free chlorination of dialkyl maleate; herbicide intermediates AMERICAN CYANAMID COMPANY (US) 1991-02-26 US disclosed
EP-0262305-A1 Method for the preparation of anilinofumarate and quinoline-2,3-dicarboxylic acid AMERICAN CYANAMID COMPANY (US) 1988-04-06 EP disclosed
EP-0257433-A2 Method for the preparation of quinoline-2,3-dicarboxylic acid AMERICAN CYANAMID COMPANY (US) 1988-03-02 EP disclosed
US-4719303-A Preparation of substituted and unsubstituted 2-[(1-carbamoyl-1,2-dimethylpropyl)-carbamoyl]-3-quinolinecarboxylic, nicotinic and benzoic acids AMERICAN CYANAMID COMPANY (US) 1988-01-12 US disclosed
EP-0142718-B1 PREPARATION OF SUBSTITUTED AND UNSUBSTITUTED 2-((1-CARBAMOYL-1,2-DIMETHYLPROPYL)-CARBAMOYL)-3-QUINOLINECARBOXYLIC, NICOTINIC AND BENZOIC ACIDS AMERICAN CYANAMID COMPANY (US) 1987-03-11 EP disclosed
US-4638068-A 2-(2-imidazolin-2-yl)-pyridines and quinolines, process and intermediates for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1987-01-20 US disclosed
EP-0041623-B1 SUBSTITUTED IMIDAZOLINYL NICOTINE ACIDS, ESTERS AND SALTS AND USE THEREOF AS HERBICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1985-08-28 EP disclosed
EP-0142718-A1 Preparation of substituted and unsubstituted 2-((1-carbamoyl-1,2-dimethylpropyl)-carbamoyl)-3-quinolinecarboxylic, nicotinic and benzoic acids AMERICAN CYANAMID COMPANY (US) 1985-05-29 EP disclosed
EP-0041624-B1 METHOD TO BENEFICIALLY INFLUENCE & ALTER THE DEVELOPMENT & LIFE CYCLE OF AGRONOMIC AND HORTICULTURAL CROPS WITH CERTAIN IMIDAZOLINYL NICOTINIC ACIDS AND DERIVATIVES THEREOF AMERICAN CYANAMID COMPANY (US) 1984-02-01 EP disclosed
EP-0041623-A2 Substituted imidazolinyl nicotine acids, esters and salts and use thereof as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1981-12-16 EP disclosed
EP-0041624-A2 Method to beneficially influence & alter the development & life cycle of agronomic and horticultural crops with certain imidazolinyl nicotinic acids and derivatives thereof AMERICAN CYANAMID COMPANY (US) 1981-12-16 EP disclosed