SCHEMBL4379581

SCHEMBL4379581

N=C(NCc1ccccc1)Nc1ccc(C(=O)Nc2cccc([S+]([O-])[C@@H](CC(=O)O)c3cccnc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.46
LMNA P02545 2/20 0.43
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ITGB3 P05106 3/20 0.42
ITGAV P06756 3/20 0.42
ITGA2B P08514 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KCNK3 O14649 1/20 0.41

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
SCHEMBL2836929 1.00 NAMPT (0.46) NAMPTLMNAADRB2ADRB1ADRB3
SCHEMBL2836312 0.94 NAMPT (0.44) NAMPTLMNAADRB2ADRB1ADRB3
SCHEMBL2836318 0.93 NAMPT (0.47) NAMPTLMNAADRB2ADRB1ADRB3
SCHEMBL2836523 0.92 ADRB2 (0.44) NAMPTLMNAADRB2ADRB1ADRB3
SCHEMBL2833174 0.92 NAMPT (0.52) NAMPTITGB3ITGAV
SCHEMBL2833009 0.92 HPSE (0.42) NAMPTMEN1KMT2AITGB3ITGAV
SCHEMBL2836494 0.87 ITGB3 (0.49) NAMPTADRB2ADRB1ADRB3ITGB3
SCHEMBL2841321 0.86 TSHR (0.51) NAMPTLMNAADRB2ADRB1ADRB3
SCHEMBL2838519 0.86 LMNA (0.43) LMNAALDH1A1MAPTKMT2AITGB3
SCHEMBL2832015 0.86 NAMPT (0.47) NAMPTLMNAADRB2ADRB1ADRB3

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