SCHEMBL6973673

SCHEMBL6973673

NC(=Nc1ccc(CNC(=O)O)cc1)c1cccs1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.60
NOS3 P29474 4/20 0.53
NOS2 P35228 3/20 0.53

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
SCHEMBL6973670 1.00 NOS1 (0.60) NOS1NOS3NOS2
SCHEMBL6968104 0.87 NOS1 (0.57) NOS1NOS3NOS2
SCHEMBL6968445 0.85 NOS1 (0.60) NOS1NOS3NOS2
SCHEMBL9218996 0.85 NOS1 (0.54) NOS1NOS3NOS2
SCHEMBL27356563 0.84 NOS1 (0.56) NOS1NOS3NOS2
SCHEMBL6968123 0.84 NOS1 (0.68) NOS1NOS3NOS2
SCHEMBL9037867 0.84 PLAU (0.69) NOS1NOS3NOS2
SCHEMBL6966986 0.83 NOS1 (0.64) NOS1NOS3NOS2
SCHEMBL6282503 0.82 NOS1 (0.51) NOS1NOS3NOS2
SCHEMBL6282506 0.82 NOS1 (0.51) NOS1NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169316-B9 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2003-10-29 EP disclosed
US-6605637-B1 Nitrogen monoxide synthase inhibitors; such as n-(4-(((2-thienyl)(imino)methyl)amino)phenyl)-1,2-dithiolane-3-pentamide SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-08-12 US disclosed
EP-1169316-B1 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2003-03-05 EP disclosed
EP-1169316-A1 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-01-09 EP disclosed
WO-2000059899-A1 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEIL DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-10-12 WO disclosed