SCHEMBL4384849

SCHEMBL4384849

N=C(N)Nc1ccc(C(=O)Nc2cccc(NS(=O)(=O)C(CC(=O)O)c3ccccc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.47
ITGA2B P08514 4/20 0.47
KCNK9 Q9NPC2 3/20 0.43
KCNK3 O14649 2/20 0.43
KMT2A Q03164 3/20 0.43
SIRT1 Q96EB6 1/20 0.43
HPSE Q9Y251 1/20 0.42
F2 P00734 3/20 0.41
POLB P06746 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
PRSS1 P07477 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
F7 P08709 2/20 0.40

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
SCHEMBL2833715 0.86 ITGB3 (0.47) ITGB3ITGA2BKMT2AHPSEF2
SCHEMBL2838666 0.82 KMT2A (0.48) ITGB3ITGA2BKMT2APOLBPLAU
SCHEMBL2836334 0.82 ITGB3 (0.52) ITGB3ITGA2BKMT2APOLBMEN1
SCHEMBL4235103 0.81 ALDH1A1 (0.46) ITGB3KCNK9KCNK3KMT2APOLB
SCHEMBL2833035 0.79 ITGB3 (0.48) ITGB3ITGA2BKCNK9KCNK3KMT2A
SCHEMBL7455765 0.78 ITGB3 (0.58) ITGB3ITGA2BKCNK9KCNK3KMT2A
SCHEMBL2838002 0.78 MAPK1 (0.52) ITGB3ITGA2BKMT2AF2PLG
SCHEMBL2842084 0.78 KMT2A (0.45) ITGB3ITGA2BKCNK9KCNK3KMT2A
SCHEMBL2836327 0.78 ITGB3 (0.43) ITGB3ITGA2BKMT2AMEN1
SCHEMBL2836989 0.77 ITGB3 (0.50) ITGB3ITGA2BKCNK3

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