SCHEMBL7669149

SCHEMBL7669149

CNS(=O)(=O)c1cc(S(=O)(=O)NC)c(C=[N+]([O-])CC(C)C)o1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALDH3A1 P30838 1/20 0.30

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
SCHEMBL7662612 0.85 LMNA (0.33) LMNA
SCHEMBL7666927 0.83 LMNA (0.31) LMNA
SCHEMBL7698361 0.83 LMNA (0.33) LMNA
SCHEMBL7664563 0.81 LMNA (0.35) LMNAALDH1A1
SCHEMBL7665725 0.80 NR3C2 (0.33) LMNAALDH1A1
SCHEMBL7669454 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7665563 0.76 CA12 (0.33) ALDH1A1ALDH3A1
SCHEMBL7668786 0.72 PTGS2 (0.34)
SCHEMBL8498723 0.71 LMNA (0.36) LMNAALDH1A1
SCHEMBL7670184 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376540-B1 PREVENT NEURODEGENERATIVE DISEASE CENTAUR PHARMACEUTICALS, INC. 2002-04-23 US 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