SCHEMBL7015428

SCHEMBL7015428

CC(=O)Oc1ccc(-n2sc3ccccc3c2=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 4/20 0.72
MPI P34949 13/20 0.62
PMM2 O15305 11/20 0.62
PHOSPHO1 Q8TCT1 11/20 0.62
NPSR1 Q6W5P4 3/20 0.62
APOBEC3G Q9HC16 3/20 0.62
RAB9A P51151 3/20 0.62
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
MAPT P10636 2/20 0.62
PKM P14618 2/20 0.62
HPGD P15428 2/20 0.62
ALOX12 P18054 2/20 0.62
CASP3 P42574 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
NPC1 O15118 1/20 0.62
TP53 P04637 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
KDM5B Q9UGL1 1/20 0.62
HSP90AA1 P07900 1/20 0.60

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
SCHEMBL1897990 0.84 G6PD (1.00) G6PDMPIPMM2PHOSPHO1NPSR1
SCHEMBL25763324 0.82 MPI (0.89) G6PDMPIPMM2PHOSPHO1NPSR1
SCHEMBL20022716 0.80 G6PD (0.75) G6PDMPIPMM2PHOSPHO1NPSR1
SCHEMBL8371849 0.79 G6PD (0.74) G6PDMPIPMM2PHOSPHO1NPSR1
SCHEMBL19099663 0.79 G6PD (0.74) G6PDMPIPMM2PHOSPHO1NPSR1
SCHEMBL1899594 0.78 MPI (0.74) G6PDMPIPMM2PHOSPHO1NPSR1
SCHEMBL2443755 0.77 MPI (1.00) G6PDMPIPMM2PHOSPHO1NPSR1
SCHEMBL29910151 0.77 MPI (1.00) G6PDMPIPMM2PHOSPHO1NPSR1
SCHEMBL8371836 0.77 G6PD (0.70) G6PDMPIPMM2PHOSPHO1NPSR1
SCHEMBL30562926 0.77 MPI (1.00) G6PDMPIPMM2PHOSPHO1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6001863-A USEFUL AS ANTIVIRAL, ANTIINFLAMMATORY AND ANTIATHEROSCLEROSIS AGENT; ADMINISTERING TO THE PATIENT IN NEED OF ZINC EJECTION FROM NUCLEOCAPSID PROTEIN WARNER-LAMBERT COMPANY (US) 1999-12-14 US claimed
EP-0828488-B1 ISOTHIAZOLONES WARNER LAMBERT CO (US) 2003-02-12 EP disclosed
US-6133270-A Isothiazolones and pharmaceutical formulations WARNER-LAMBERT COMPANY (US) 2000-10-17 US disclosed
US-6001863-A USEFUL AS ANTIVIRAL, ANTIINFLAMMATORY AND ANTIATHEROSCLEROSIS AGENT; ADMINISTERING TO THE PATIENT IN NEED OF ZINC EJECTION FROM NUCLEOCAPSID PROTEIN WARNER-LAMBERT COMPANY (US) 1999-12-14 US disclosed
US-5620997-A VIRICIDES, ANTIINFLAMMATORY AGENTS, ANTIATHEROSCLEROTIC AGENT WARNER-LAMBERT COMPANY (US) 1997-04-15 US disclosed