SCHEMBL27624435

SCHEMBL27624435

Cc1ccc(C(=O)NCc2cnn(-c3cccc(CN)c3)c2)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.61
DDT P30046 1/20 0.48
CCR1 P32246 13/20 0.46
EPHX2 P34913 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL27643790 0.94 ELANE (0.64) ELANEDDTCCR1
SCHEMBL5757082 0.91 ELANE (0.63) ELANEDDTCCR1EPHX2
SCHEMBL5757939 0.91 ELANE (0.65) ELANEDDTCCR1EPHX2KDM4E
SCHEMBL5756300 0.89 ELANE (0.63) ELANEDDTCCR1
SCHEMBL5757244 0.85 ELANE (0.67) ELANEDDTCCR1ALDH1A1SMN1; SMN2
SCHEMBL5757669 0.84 ELANE (0.65) ELANEDDTCCR1ALDH1A1
SCHEMBL5755788 0.82 ELANE (0.79) ELANEDDTCCR1KDM4EALDH1A1
SCHEMBL5759185 0.81 ELANE (0.68) ELANEDDTCCR1KDM4EALDH1A1
SCHEMBL5758687 0.81 ELANE (0.73) ELANEDDTCCR1KDM4EALDH1A1
SCHEMBL5760891 0.80 ELANE (0.75) ELANEDDTCCR1ALDH1A1

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
CN-1711243-A 2-pyridone derivatives as inhibitors of neutrophil elastase ASTRAZENECA AB (SE) 2005-12-21 CN disclosed