SCHEMBL7659060

SCHEMBL7659060

CC(C)(C)[N+]([O-])=Cc1ccc(S(=O)(=O)O)o1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.40
CA2 P00918 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
MYC P01106 1/20 0.32

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
SCHEMBL7665526 0.86
SCHEMBL7666039 0.82 CA1 (0.43) CA1CA2KDM4EMEN1THRB
SCHEMBL7671014 0.82 ALDH1A1 (0.36) CA1CA2MEN1KMT2A
SCHEMBL7660921 0.78 CA1 (0.40) CA1CA2KDM4EMEN1THRB
SCHEMBL7665584 0.78 CA1 (0.43) CA1CA2KDM4EMEN1THRB
SCHEMBL8184584 0.76 CA1 (0.42) CA1CA2KDM4EMEN1THRB
SCHEMBL7660817 0.76 CA1 (0.42) CA1CA2KDM4EMEN1THRB
SCHEMBL7660486 0.75
SCHEMBL7669706 0.74
SCHEMBL7667139 0.74 CA1 (0.40) CA1CA2KDM4EMEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077696-A1 FURAN NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 2001-02-28 EP claimed
WO-1999059579-A1 FURAN NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1999-11-25 WO claimed
US-5942507-A REAGANTS FOR DETECTION FREE RADICALS CENTAUR PHARMACEUTICALS, INC. (US) 1999-08-24 US claimed
US-6376540-B1 PREVENT NEURODEGENERATIVE DISEASE CENTAUR PHARMACEUTICALS, INC. 2002-04-23 US disclosed
EP-1077696-A1 FURAN NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 2001-02-28 EP disclosed
EP-1021430-A1 FURAN NITRONE COMPOUNDS CENTAUR PHARMACEUTICALS, INC. (US) 2000-07-26 EP disclosed
US-6051571-A NERVOUS SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS CENTAUR PHARMACEUTICALS, INC. (US) 2000-04-18 US disclosed
US-6040444-A Process for preparing furan nitrone compounds CENTAUR PHARMACEUTICALS, INC. (US) 2000-03-21 US disclosed
WO-1999059579-A1 FURAN NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1999-11-25 WO disclosed
US-5942507-A REAGANTS FOR DETECTION FREE RADICALS CENTAUR PHARMACEUTICALS, INC. (US) 1999-08-24 US disclosed
WO-1998003496-A1 FURAN NITRONE COMPOUNDS CENTAUR PHARMACEUTICALS, INC. (US) 1998-01-29 WO disclosed