SCHEMBL5200518

SCHEMBL5200518

CCN(CC)c1ncccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.47
HPGD P15428 6/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP3A4 P08684 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
ALDH1A1 P00352 8/20 0.41
L3MBTL1 Q9Y468 5/20 0.41
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 2/20 0.41
CASP1 P29466 1/20 0.41
CLK1 P49759 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL12125020 0.84 HPGD (0.43) KCNMA1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL14228959 0.83 AGTR1 (0.54) KCNMA1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL14228976 0.81 AGTR1 (0.53) KCNMA1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL27931531 0.80 AGTR1 (0.45) KCNMA1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL6191221 0.79 HTT (0.45) KCNMA1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL1291285 0.78 PTK2 (0.40) KCNMA1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL14200877 0.78 AGTR1 (0.41) KCNMA1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL9377841 0.77 ALDH1A1 (0.50) KCNMA1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL3783787 0.76 ALDH1A1 (0.40) KCNMA1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL14200875 0.76 AGTR1 (0.48) KCNMA1HPGDCYP1A2CYP2D6CYP2C9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1075661-B1 LIGAND BINDING ASSAY AND KIT WITH A SEPARATION ZONE FOR DISTURBING SAMPLE COMPONENTS MAIIA AB (SE) 2007-08-22 EP disclosed
EP-1467210-A1 Method with separation and kit for use in the method PHARMACIA DIAGNOSTICS AB (SE) 2004-10-13 EP disclosed
US-6737278-B1 FLOW MATRIX CONTAINS SEPARATION ZONES TO RETARD OR SEPARATE A COMPONENT CAPABLE OF DISTURBINGOR INFLUENCING THE SIGNAL FROM THE SIGNAL COMPLEX PHARMACIA & UPJOHN DIAGNOSTIC AB (SE) 2004-05-18 US disclosed
US-20040023412-A1 Ligand binding assay and kit with a separation zone for disturbing analytes PHARMACIA & UPJOHN DIAGNOSTICS AB. 2004-02-05 US disclosed
EP-1075661-A1 LIGAND BINDING ASSAY AND KIT WITH A SEPARATION ZONE FOR DISTURBING ANALYTES PHARMACIA AB (SE) 2001-02-14 EP disclosed
WO-1999060402-A1 LIGAND BINDING ASSAY AND KIT WITH A SEPARATION ZONE FOR DISTURBING ANALYTES PHARMACIA & UPJOHN DIAGNOSTICS AB (SE) 1999-11-25 WO disclosed