SCHEMBL8595449

SCHEMBL8595449

Cn1c(=O)c2[nH]c(CCCN)nc2n(C)c1=O

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.71
ALDH1A1 P00352 6/20 0.69
CYP3A4 P08684 3/20 0.69
CYP2C19 P33261 4/20 0.67
CYP1A2 P05177 1/20 0.67
ALOX15 P16050 1/20 0.62
MAPK1 P28482 1/20 0.62
CYP2D6 P10635 1/20 0.62
HSD17B10 Q99714 2/20 0.61
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
NR2F2 P24468 1/20 0.60
PABPC1 P11940 1/20 0.52
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
Hydrochloric Acid SCHEMBL6496307 0.99 POLB (0.69) POLBALDH1A1CYP3A4CYP2C19CYP1A2
SCHEMBL8667688 0.96 ALDH1A1 (0.70) POLBALDH1A1CYP3A4CYP2C19CYP1A2
SCHEMBL8665529 0.94 ALDH1A1 (0.68) POLBALDH1A1CYP3A4CYP2C19CYP1A2
SCHEMBL8664913 0.91 POLB (0.75) POLBALDH1A1CYP3A4CYP2C19CYP1A2
Iodoacetamide SCHEMBL8666719 0.90 ALDH1A1 (0.63) POLBALDH1A1CYP3A4CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL8668067 0.90 POLB (0.73) POLBALDH1A1CYP3A4CYP2C19CYP1A2
SCHEMBL21765989 0.89 POLB (0.77) POLBALDH1A1CYP3A4CYP2C19CYP1A2
SCHEMBL9406540 0.87 POLB (0.83) POLBALDH1A1CYP3A4CYP2C19CYP1A2
SCHEMBL9844925 0.85 POLB (0.81) POLBALDH1A1CYP3A4CYP2C19CYP1A2
SCHEMBL6243622 0.85 ALDH1A1 (0.71) POLBALDH1A1CYP3A4CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843634-A Genetically engineered enzymes and their conjugates for diagnostic assays ABBOTT LABORATORIES (US) 1998-12-01 US disclosed
EP-0648328-B1 IMPROVEMENT IN OPTICAL ASSAYS BIACORE AKTIEBOLAG (SE) 1998-01-21 EP disclosed
EP-0688364-A4 GENETICALLY ENGINEERED ENZYMES AND THEIR CONJUGATES FOR DIAGNOSTIC ASSAYS ABBOTT LAB (US) 1997-10-15 EP disclosed
US-5643734-A KITS FOR QUALITATIVE AND QUANTITATIVE ANALYSIS MICROGENICS CORPORATION (US) 1997-07-01 US disclosed
US-5641640-A MEASURING CHANGE IN REFRACTIVE INDEX, VARYING WAVELENGTH BIACORE AB (SE) 1997-06-24 US disclosed
US-5604091-A ENZYME DONOR POLYPEPTIDE HAVING SPECIFIED AMINO ACID SEQUENCE; QUALITATIVE AND QUANTITATIVE ANALYSIS MICROGENICS CORPORATION (US) 1997-02-18 US disclosed
EP-0599956-B1 ASSAY METHOD PHARMACIA BIOSENSOR AB (SE) 1997-02-05 EP disclosed
US-5573956-A Assay method based upon refractive index changes at a solid optical surface PHARMACIA BIOSENSOR AB (SE) 1996-11-12 US disclosed
EP-0589867-B1 SENSING SURFACES CAPABLE OF SELECTIVE BIOMOLECULAR INTERACTIONS, TO BE USED IN BIOSENSOR SYSTEMS PHARMACIA BIOSENSOR AB (SE) 1996-04-10 EP disclosed
US-5492840-A Surface plasmon resonance sensor unit and its use in biosensor systems PHARMACIA BIOSENSOR AB (SE) 1996-02-20 US disclosed
EP-0199801-A1 METHODS FOR PROTEIN BINDING ENZYME COMPLEMENTATION ASSAYS. MICROGENICS CORP (US) 1986-11-05 EP disclosed
WO-1986002666-A1 METHODS FOR PROTEIN BINDING ENZYME COMPLEMENTATION ASSAYS MICROGENICS CORPORATION (US) 1986-05-09 WO disclosed
EP-0069281-B1 MULTILAYER ANALYTICAL ELEMENT; METHOD FOR ITS PREPARATION AND ITS USE IN ANALYTICAL METHODS MILES INC. (US) 1985-09-25 EP disclosed
US-4447529-A IMMUNOASSAY; AMINOGLYCOSIDE ANTIBIOTICS; STRIPS MILES LABORATORIES, INC. (US) 1984-05-08 US disclosed
US-4404366-A ENZYME CLEAVABLE GLYCOSIDIC LINKAGE MILES LABORATORIES, INC. (US) 1983-09-13 US disclosed
US-4390343-A Multilayer analytical element having an impermeable radiation diffusing and blocking layer MILES LABORATORIES, INC. (US) 1983-06-28 US disclosed
EP-0069281-A1 Multilayer analytical element; method for its preparation and its use in analytical methods MILES INC. (US) 1983-01-12 EP disclosed
US-4363874-A RADIOIMMUNOASSAY DIAGNOSIS MILES LABORATORIES, INC. (US) 1982-12-14 US disclosed
US-4331590-A β-Galactosyl-umbelliferone-labeled protein and polypeptide conjugates MILES LABORATORIES, INC. (US) 1982-05-25 US disclosed
US-4279992-A Specific binding assay employing an enzyme-cleavable substrate as label MILES LABORATORIES, INC. (US) 1981-07-21 US disclosed