SCHEMBL4387956

SCHEMBL4387956

N=C(Nc1ccccc1)Nc1cccc(C(=O)Nc2cccc(S(=O)(=O)C(CC(=O)O)c3cccnc3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.47
ITGB3 P05106 3/20 0.46
ITGAV P06756 3/20 0.46
ITGA2B P08514 3/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.45
NAMPT P43490 3/20 0.44
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SUCNR1 Q9BXA5 2/20 0.42
BRAF P15056 1/20 0.42

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
SCHEMBL2838359 0.92 NAMPT (0.45) KCNK3ITGB3ITGAVITGA2BMAPT
SCHEMBL2833623 0.91 ITGB3 (0.50) KCNK3ITGB3ITGAVITGA2BMAPT
SCHEMBL2834529 0.89 ITGB3 (0.51) KCNK3ITGB3ITGAVITGA2BMAPT
SCHEMBL2841490 0.88 NAMPT (0.47) KCNK3ITGB3ITGAVITGA2BMAPT
SCHEMBL2839356 0.88 NAMPT (0.47) ITGB3ITGAVITGA2BMAPTNAMPT
SCHEMBL2836989 0.87 ITGB3 (0.50) KCNK3ITGB3ITGAVITGA2BALDH1A1
SCHEMBL2842605 0.87 ITGB3 (0.50) KCNK3ITGB3ITGAVITGA2BMAPT
SCHEMBL2836874 0.86 TSHR (0.52) ITGB3ITGAVMAPTL3MBTL1NAMPT
SCHEMBL2833027 0.86 ALDH1A1 (0.48) KCNK3ITGB3ITGAVITGA2BMAPT
SCHEMBL2836420 0.85 ITGB3 (0.51) KCNK3ITGB3ITGAVITGA2BMAPT

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