SCHEMBL6883780

SCHEMBL6883780

COC(=O)c1ccc(-n2sc3ccccc3c2=O)cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 15/20 0.67
PHOSPHO1 Q8TCT1 14/20 0.67
PMM2 O15305 13/20 0.67
RAB9A P51151 3/20 0.67
G6PD P11413 4/20 0.56
EP300 Q09472 1/20 0.54
KAT2A Q92830 1/20 0.54
KAT2B Q92831 1/20 0.54
APOBEC3G Q9HC16 4/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
PKM P14618 2/20 0.52
HPGD P15428 2/20 0.52
ALOX12 P18054 2/20 0.52
CASP3 P42574 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52

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
SCHEMBL1896513 0.87 MPI (0.65) MPIPHOSPHO1PMM2RAB9AG6PD
SCHEMBL26645117 0.85 MPI (0.64) MPIPHOSPHO1PMM2RAB9AG6PD
SCHEMBL1899594 0.81 MPI (0.74) MPIPHOSPHO1PMM2RAB9AG6PD
SCHEMBL12252300 0.80 MPI (1.00) MPIPHOSPHO1PMM2RAB9AG6PD
SCHEMBL1895902 0.78 MPI (0.60) MPIPHOSPHO1PMM2RAB9AG6PD
SCHEMBL8370795 0.74 G6PD (0.69) MPIPHOSPHO1PMM2RAB9AG6PD
SCHEMBL25763324 0.73 MPI (0.89) MPIPHOSPHO1PMM2RAB9AG6PD
SCHEMBL29864440 0.73 MPI (0.54) MPIPHOSPHO1PMM2RAB9AG6PD
SCHEMBL1897990 0.73 G6PD (1.00) MPIPHOSPHO1PMM2RAB9AG6PD
SCHEMBL1900552 0.72 MPI (0.74) MPIPHOSPHO1PMM2RAB9AG6PD

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-2011062864-A2 INHIBITORS OF NOX ENZYMES AND METHODS OF USE THEREOF EMORY UNIVERSITY (US) 2011-05-26 WO disclosed