SCHEMBL7667648

SCHEMBL7667648

O=S(=O)(O)c1ccc(C=[N+]([O-])Cc2ccccc2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.56
CA2 P00918 5/20 0.48
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
CYP3A4 P08684 1/20 0.33
BLM P54132 1/20 0.33
GFER P55789 1/20 0.33
PMP22 Q01453 1/20 0.33
BCHE P06276 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MYC P01106 1/20 0.32
THRB P10828 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 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
SCHEMBL8185842 0.84 CA1 (0.39) CA1CA2MAPTLMNAALDH1A1
SCHEMBL7668845 0.77 CA1 (0.35) CA1CA2KDM4EMAPTLMNA
SCHEMBL7665685 0.77 CA1 (0.39) CA1CA2KDM4EMAPTLMNA
SCHEMBL7660817 0.77 CA1 (0.42) CA1CA2KDM4EMEN1KMT2A
SCHEMBL8184584 0.77 CA1 (0.42) CA1CA2KDM4EMEN1KMT2A
SCHEMBL7664514 0.76 TSHR (0.35) CA1CA2KDM4EMAPTLMNA
SCHEMBL7666373 0.76 CA1 (0.37) CA1CA2KDM4EMAPTLMNA
SCHEMBL7662784 0.75 CA1 (0.40) CA1CA2KDM4EMAPTALDH1A1
SCHEMBL7666039 0.74 CA1 (0.43) CA1CA2KDM4EMEN1KMT2A
SCHEMBL7665032 0.74 BCHE (0.36) CA1CA2KDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021430-A1 FURAN NITRONE COMPOUNDS CENTAUR PHARMACEUTICALS, INC. (US) 2000-07-26 EP claimed
US-5942507-A REAGANTS FOR DETECTION FREE RADICALS CENTAUR PHARMACEUTICALS, INC. (US) 1999-08-24 US claimed
WO-1998003496-A1 FURAN NITRONE COMPOUNDS CENTAUR PHARMACEUTICALS, INC. (US) 1998-01-29 WO claimed
US-6376540-B1 PREVENT NEURODEGENERATIVE DISEASE CENTAUR PHARMACEUTICALS, INC. 2002-04-23 US 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
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