SCHEMBL4384102

SCHEMBL4384102

N=C(NCc1ccccc1)Nc1ccc(C(=O)[AsH]c2cccc(S(=O)(=O)[C@@H](CC(=O)O)c3ccccc3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
CA2 P00918 3/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 2/20 0.37
ALDH1A1 P00352 5/20 0.37
PKM P14618 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 2/20 0.36
NAMPT P43490 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
F2 P00734 3/20 0.34
TMPRSS6 Q8IU80 2/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL4384107 1.00 ITGB3 (0.42) ITGB3ITGAVCA2CA12CA1
SCHEMBL2832886 0.85 ITGB3 (0.47) ITGB3ITGAVALDH1A1PKMHDAC8
SCHEMBL2841991 0.82 LMNA (0.49) CA2CA12CA1CA9ALDH1A1
SCHEMBL2833089 0.80 ITGB3 (0.48) ITGB3ITGAVALDH1A1PKMHDAC8
SCHEMBL2836439 0.80 ITGB3 (0.45) ITGB3ITGAVALDH1A1HDAC8HDAC6
SCHEMBL2839356 0.78 NAMPT (0.47) ITGB3ITGAVLMNANAMPTSMN1; SMN2
SCHEMBL2839446 0.76 HDAC1 (0.45) ALDH1A1HDAC8HDAC6LMNANAMPT
SCHEMBL2835299 0.76 ITGB3 (0.55) ITGB3ITGAVCA2CA12CA1
SCHEMBL2834642 0.74 NAMPT (0.48) ITGB3ITGAVLMNANAMPTHTT
SCHEMBL2838359 0.73 NAMPT (0.45) ITGB3ITGAVLMNANAMPTSMN1; SMN2

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