SCHEMBL8370716

SCHEMBL8370716

O=c1c2ccc([N+](=O)[O-])cc2sn1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHOSPHO1 Q8TCT1 7/20 1.00
G6PD P11413 5/20 0.80
TLR9 Q9NR96 3/20 0.80
KAT2B Q92831 4/20 0.62
MPI P34949 3/20 0.61
MIF P14174 1/20 0.60
PMM2 O15305 3/20 0.58
APOBEC3G Q9HC16 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HSP90AA1 P07900 1/20 0.58
MAPT P10636 1/20 0.58
PKM P14618 1/20 0.58
HPGD P15428 1/20 0.58
ALOX12 P18054 1/20 0.58
CASP3 P42574 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
EP300 Q09472 1/20 0.49
KAT2A Q92830 1/20 0.49

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
SCHEMBL8373525 0.89 G6PD (1.00) PHOSPHO1G6PDTLR9KAT2BMPI
SCHEMBL1896800 0.82 PHOSPHO1 (0.70) PHOSPHO1G6PDTLR9KAT2BMPI
SCHEMBL8371744 0.76 MPI (1.00) PHOSPHO1G6PDTLR9KAT2BMPI
SCHEMBL8372577 0.76 MPI (0.68) PHOSPHO1G6PDTLR9KAT2BMPI
SCHEMBL8373520 0.76 MPI (0.68) PHOSPHO1G6PDTLR9MPIPMM2
SCHEMBL8369540 0.76 MIF (0.73) PHOSPHO1G6PDTLR9MPIMIF
SCHEMBL8370718 0.76 G6PD (0.68) PHOSPHO1G6PDTLR9MPIMIF
SCHEMBL11631673 0.76 PHOSPHO1 (0.61) PHOSPHO1G6PDTLR9KAT2BALDH1A1
SCHEMBL8369494 0.75 G6PD (0.64) PHOSPHO1G6PDTLR9KAT2BMPI
SCHEMBL29798987 0.75 G6PD (0.76) PHOSPHO1G6PDTLR9KAT2BMPI

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
EP-0644243-B1 Anti-fouling compositions or fouling control of harmful aquatic oranisms SUMITOMO CHEMICAL CO (JP) 1999-01-27 EP disclosed