SCHEMBL9747776

SCHEMBL9747776

CCC(=O)C(=O)Nc1ccc2cc(C#N)ccc2c1NC(=O)C(=O)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.41
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
KLKB1 P03952 1/20 0.37
PRSS1 P07477 1/20 0.37
SLC6A4 P31645 3/20 0.37
GPR35 Q9HC97 4/20 0.36
DYRK1A Q13627 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CXCR1 P25024 2/20 0.34
CXCR2 P25025 2/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34

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
SCHEMBL9669306 0.77 KCNJ11 (0.46) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL8892128 0.74 KAT2B (0.52) MAPT
SCHEMBL9365444 0.72 LMNA (0.45) GPR35MAPT
SCHEMBL9364633 0.70 SAE1 (0.54) CA1CA2ABCC9KCNJ11ALDH1A1
SCHEMBL9364688 0.69 KMT2A (0.57) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL9362784 0.67 L3MBTL1 (0.47) ALDH1A1
SCHEMBL13037656 0.65 CA2 (0.55) NCEH1F2PLGPLAUKLKB1
SCHEMBL9362554 0.64 HSP90AA1 (0.39) NCEH1ALDH1A1MAPT
SCHEMBL12310183 0.64 CA2 (0.53) NCEH1F2PLGPLAUKLKB1
SCHEMBL12320904 0.64 CA2 (0.53) NCEH1F2PLGPLAUKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511152-A2 Quinoxaline compounds, their preparation and use NOVO NORDISK A/S (DK) 1992-10-28 EP disclosed