SCHEMBL8128249

SCHEMBL8128249

CC(C)(O)CNc1c2c(nc(OS(=O)(=O)C(F)(F)F)c1[N+](=O)[O-])CCCC2

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.37
BCHE P06276 11/20 0.37
USP2 O75604 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
SCHEMBL8122861 0.99 ACHE (0.36) ACHEBCHEUSP2
SCHEMBL8122765 0.86 ACHE (0.34) ACHEBCHE
SCHEMBL8127299 0.85 MEN1 (0.35) ACHEBCHE
SCHEMBL6954348 0.84 BCHE (0.40) ACHEBCHE
SCHEMBL8121921 0.84 ALDH1A1 (0.34) ACHEBCHE
SCHEMBL8122131 0.81
SCHEMBL6953068 0.79 ACHE (0.33) ACHE
SCHEMBL8113406 0.78 SMN1; SMN2 (0.36) ACHEBCHE
SCHEMBL7823369 0.78 EGFR (0.44) ACHEBCHE
SCHEMBL6952130 0.77 SMN1; SMN2 (0.36) ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708773-B1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING & MFG (US) 2000-10-04 EP disclosed
US-5886006-A VIRICIDES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-03-23 US disclosed
US-5648516-A INTERFERON BIOSYNTHESIS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-07-15 US disclosed
US-5627281-A CHEMCAL INTERMEDIATES FOR VIRICIDES BY INDUCING SYNTHESIS OF INTERFERONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-05-06 US disclosed
EP-0708773-A1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-01 EP disclosed
US-5444065-A Viricides MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-08-22 US disclosed
WO-1995002598-A1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-26 WO disclosed
US-5352784-A Viricides; immunomodulators MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-10-04 US disclosed