SCHEMBL8373532

SCHEMBL8373532

COc1ccc2c(=O)n(-c3ccccc3)sc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 0.74
MPI P34949 9/20 0.72
PMM2 O15305 6/20 0.72
G6PD P11413 6/20 0.68
PHOSPHO1 Q8TCT1 7/20 0.66
APOBEC3G Q9HC16 4/20 0.61
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
MAPT P10636 2/20 0.61
PKM P14618 2/20 0.61
HPGD P15428 2/20 0.61
ALOX12 P18054 2/20 0.61
CASP3 P42574 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
HSP90AA1 P07900 1/20 0.61
TLR9 Q9NR96 2/20 0.58
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
TP53 P04637 1/20 0.51

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
SCHEMBL8372534 0.88 MPI (0.72) MIFMPIPMM2G6PDPHOSPHO1
SCHEMBL2538424 0.84 MPI (1.00) MIFMPIPMM2G6PDPHOSPHO1
SCHEMBL8372577 0.81 MPI (0.68) MIFMPIPMM2G6PDPHOSPHO1
SCHEMBL1897990 0.81 G6PD (1.00) MIFMPIPMM2G6PDPHOSPHO1
SCHEMBL8373420 0.80 G6PD (0.80) MIFMPIPMM2G6PDPHOSPHO1
SCHEMBL8373413 0.79 MIF (0.71) MIFMPIPMM2G6PDPHOSPHO1
SCHEMBL12253284 0.79 MIF (1.00) MIFMPIPMM2G6PDPHOSPHO1
SCHEMBL8370718 0.78 G6PD (0.68) MIFMPIPMM2G6PDPHOSPHO1
SCHEMBL8373520 0.78 MPI (0.68) MPIPMM2G6PDPHOSPHO1APOBEC3G
SCHEMBL8369540 0.78 MIF (0.73) MIFMPIPMM2G6PDPHOSPHO1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024008788-A1 USE OF EBSELEN OR ONE OF THE DERIVATIVES THEREOF TO TREAT MITOCHONDRIAL PATHOLOGIES OR DYSFUNCTIONS ASSOCIATION FRANCAISE CONTRE LES MYOPATHIES (FR) 2024-01-11 WO disclosed
WO-2022081984-A1 METHODS AND COMPOUNDS TO TREAT SARS INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-21 WO disclosed
EP-0644243-B1 Anti-fouling compositions or fouling control of harmful aquatic oranisms SUMITOMO CHEMICAL CO (JP) 1999-01-27 EP disclosed