SCHEMBL8043384

SCHEMBL8043384

CN(C(=N)N)c1cccc(C(=O)Nc2ccc(SC(CC(=O)O)c3cccnc3)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.69
ITGAV P06756 20/20 0.69
ITGA2B P08514 13/20 0.69

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
SCHEMBL13024514 0.85 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL2835962 0.85 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL2838627 0.84 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL2841985 0.82 ITGB3 (0.78) ITGB3ITGAVITGA2B
SCHEMBL2836942 0.81 ITGB3 (0.81) ITGB3ITGAVITGA2B
SCHEMBL2834689 0.79 ITGB3 (0.77) ITGB3ITGAVITGA2B
SCHEMBL4371278 0.79 ITGB3 (0.71) ITGB3ITGAVITGA2B
SCHEMBL2838442 0.79 ITGB3 (0.77) ITGB3ITGAVITGA2B
SCHEMBL2837334 0.78 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL2842018 0.78 ITGB3 (0.63) ITGB3ITGAVITGA2B

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
WO-2009061448-A9 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES THE GENERAL HOSPITAL CORPORATION (US) 2009-08-13 WO disclosed