SCHEMBL6215751

SCHEMBL6215751

COc1ccc(CNC(=O)c2ccc(C)n(-c3cccc(C#N)c3)c2=O)cc1.Cc1ccc(C(=O)NCc2ccc(Cl)cc2)c(=O)n1-c1cccc(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
ELANE P08246 1/20 0.50
TP53 P04637 2/20 0.48
ABCB1 P08183 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KLKB1 P03952 3/20 0.45
AKR1B1 P15121 1/20 0.45
KLK1 P06870 2/20 0.45
LSS P48449 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
NR3C1 P04150 1/20 0.42

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
SCHEMBL5755885 0.96 ELANE (0.54) MAPTLMNAELANETP53SMN1; SMN2
SCHEMBL5761223 0.94 ELANE (0.55) MAPTLMNAELANETP53ABCB1
SCHEMBL5755853 0.88 ELANE (0.49) MAPTLMNAELANETP53SMN1; SMN2
SCHEMBL5757982 0.88 ELANE (0.57) MAPTLMNAELANETP53ABCB1
SCHEMBL5756699 0.88 ELANE (0.57) MAPTLMNAELANETP53ABCB1
SCHEMBL5759628 0.88 TOP2A (0.51) MAPTELANETP53KLKB1KLK1
SCHEMBL5755817 0.87 ELANE (0.52) ELANETP53SMN1; SMN2KLKB1AKR1B1
SCHEMBL6215147 0.86 MAPT (0.62) MAPTLMNAELANETP53ABCB1
SCHEMBL5756911 0.86 ELANE (0.57) MAPTLMNAELANETP53KLKB1
SCHEMBL5759673 0.86 ELANE (0.53) LMNAELANETP53SMN1; SMN2KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562902-A1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE AstraZeneca AB (SE) 2005-08-17 EP disclosed
WO-2004043924-A1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2004-05-27 WO disclosed