SCHEMBL6882229

SCHEMBL6882229

Cc1c(-c2ccnn2-c2ccc(N)cc2)cc(C(=O)NCC[N+](C)(C)C)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.65
CCR1 P32246 8/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 2/20 0.41
HSP90AA1 P07900 1/20 0.41
NOTUM Q6P988 1/20 0.36
LMNA P02545 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36

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
SCHEMBL1604508 0.90 ELANE (0.81) ELANECCR1MEN1KMT2ANPSR1
SCHEMBL8219783 0.88 ELANE (0.66) ELANECCR1MEN1KMT2ANPSR1
Acetic Acid SCHEMBL1603712 0.88 ELANE (0.76) ELANECCR1MEN1KMT2ANPSR1
SCHEMBL6882889 0.86 ELANE (0.59) ELANECCR1MEN1KMT2ANPSR1
SCHEMBL1604898 0.86 ELANE (0.78) ELANECCR1MEN1KMT2ANPSR1
Bromide SCHEMBL1603849 0.85 ELANE (0.77) ELANECCR1MEN1KMT2ANPSR1
SCHEMBL1604290 0.85 ELANE (0.77) ELANECCR1MEN1KMT2ANPSR1
Iodide SCHEMBL1603024 0.85 ELANE (0.76) ELANECCR1MEN1KMT2ANPSR1
Acetic Acid SCHEMBL1604206 0.84 ELANE (0.74) ELANECCR1MEN1KMT2ANPSR1
SCHEMBL27872087 0.82 ELANE (0.82) ELANECCR1MEN1KMT2ANPSR1

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
WO-2011039528-A1 2-PYRIDONE COMPOUNDS USED AS INHIBITORS OF NEUTROPHIL ELASTASE ASTRAZENECA AB (SE) 2011-04-07 WO disclosed