SCHEMBL7004823

SCHEMBL7004823

O=C(O)c1cccc(S(=O)(=O)NCCCCCCNc2nsc3nccn23)c1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 8/20 0.78
TGM1 P22735 2/20 0.59
CYP2C19 P33261 1/20 0.53
AKR1C3 P42330 7/20 0.47
MEP1B Q16820 2/20 0.47
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL7006624 0.89 F13A1 (0.82) F13A1TGM1CYP2C19MEP1BKMT2A
SCHEMBL7007806 0.88 F13A1 (1.00) F13A1TGM1MAPK1
SCHEMBL7005912 0.87 F13A1 (0.79) F13A1TGM1
SCHEMBL7004923 0.86 F13A1 (0.77) F13A1TGM1
SCHEMBL7004156 0.86 F13A1 (0.77) F13A1TGM1
SCHEMBL7003304 0.84 F13A1 (0.73) F13A1TGM1CYP2C19
SCHEMBL7005909 0.83 F13A1 (0.79) F13A1TGM1
SCHEMBL7007216 0.83 F13A1 (0.90) F13A1TGM1
SCHEMBL7004951 0.83 F13A1 (1.00) F13A1TGM1KMT2A
SCHEMBL7002927 0.82 F13A1 (0.76) F13A1TGM1

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