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Sugi Predict / Compounds / SCHEMBL8219783

SCHEMBL8219783

SCHEMBL8219783

Cc1c(-c2ccnn2-c2ccc(N)cc2)cc(C(=O)NCC(O)CNC(=O)c2cc(-c3ccnn3-c3ccc(N)cc3)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 5/20 0.66
▸ CCR1 P32246 8/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ NOTUM Q6P988 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GPR52 Q9Y2T5 1/20 0.35

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
SCHEMBL987063 0.90 ELANE (0.82) ELANECCR1MEN1KMT2A
SCHEMBL6882229 0.88 ELANE (0.65) ELANECCR1MEN1KMT2ANPSR1
SCHEMBL6882889 0.84 ELANE (0.59) ELANECCR1MEN1KMT2ANPSR1
SCHEMBL2277940 0.82 ELANE (0.82) ELANECCR1MEN1KMT2ANPSR1
SCHEMBL2273635 0.81 ELANE (0.81) ELANECCR1MEN1KMT2ANPSR1
SCHEMBL27872087 0.79 ELANE (0.82) ELANECCR1MEN1KMT2ANPSR1
SCHEMBL2273394 0.79 ELANE (1.00) ELANECCR1MEN1KMT2A
SCHEMBL28777146 0.79 ELANE (0.67) ELANECCR1MEN1KMT2ANPSR1
SCHEMBL1603715 0.79 ELANE (0.72) ELANECCR1MEN1KMT2A
SCHEMBL1604508 0.79 ELANE (0.81) 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-2008030158-A1 MULTIMERIC HETEROCYCLIC COMPOUNDS USEFUL AS NEUTROPHIL ELASTASE INHIBITORS ASTRAZENECA AB (SE) 2008-03-13 — — WO disclosed