SCHEMBL7012053

SCHEMBL7012053

COC(=O)CN(CCCCCCNS(=O)(=O)c1cccc(C(=O)OC(C)(C)C)c1[N+](=O)[O-])c1nsc2nccn12

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 9/20 0.62
TGM1 P22735 4/20 0.62
NR1D1 P20393 2/20 0.32
NPY5R Q15761 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
SCHEMBL7004197 0.85 F13A1 (0.84) F13A1TGM1NPY5R
SCHEMBL7012051 0.78 F13A1 (0.61) F13A1TGM1NR1D1
SCHEMBL7004147 0.77 F13A1 (1.00) F13A1TGM1NPY5R
SCHEMBL7003647 0.76 F13A1 (1.00) F13A1TGM1NPY5R
SCHEMBL7005235 0.72 F13A1 (1.00) F13A1TGM1NPY5R
SCHEMBL7012245 0.71 F13A1 (0.98) F13A1TGM1NPY5R
SCHEMBL7010870 0.70 F13A1 (0.77) F13A1TGM1NPY5R
SCHEMBL7004356 0.66 F13A1 (0.75) F13A1TGM1
SCHEMBL7004816 0.66 F13A1 (0.67) F13A1TGM1NR1D1
SCHEMBL7009684 0.64 F13A1 (0.65) F13A1TGM1NR1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1348710-A1 Sulfonamide derivatives of 3-substituted imidazo[1,2-D]-1,2,4-thiadiazoles and 3-substituted-[1,2,4]thiadiazolo[4,5-A]benzimidazole as inhibitors of fibrin cross-linking and transglutaminases Apotex Inc. (CA) 2003-10-01 EP disclosed