SCHEMBL11064622

SCHEMBL11064622

O=[N+]([O-])c1ccc(OSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.62
TXNRD3 Q86VQ6 1/20 0.62
TXNRD2 Q9NNW7 1/20 0.62
MAPT P10636 9/20 0.50
NPSR1 Q6W5P4 2/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 6/20 0.48
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HSPB1 P04792 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
GPR35 Q9HC97 1/20 0.46
HIF1A Q16665 1/20 0.46
MGLL Q99685 3/20 0.45
HTT P42858 3/20 0.45

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
SCHEMBL11805291 0.91 TXNRD1 (0.58) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL11067069 0.84 PDE7A (0.45) TXNRD1TXNRD3TXNRD2MAPTGAA
SCHEMBL8450917 0.83 TXNRD1 (0.70) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL13783415 0.77 TXNRD1 (0.62) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL30128616 0.77 TXNRD1 (0.78) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL1032814 0.77 TXNRD1 (1.00) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL6161726 0.77 TXNRD1 (0.78) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL11067211 0.76 HSD17B10 (0.47) NPSR1GAAALDH1A1HSPB1MAPK1
SCHEMBL3990991 0.75 TXNRD1 (0.75) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL11685220 0.74 TXNRD1 (0.72) TXNRD1TXNRD3TXNRD2MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE31512-E SISOMICIN BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1984-01-31 US disclosed
EP-0021215-B1 PSEUDOTRISACCHARIDES, THEIR PREPARATION AND USE AS MEDICAMENTS BAYER AG (DE) 1983-07-13 EP disclosed
US-4393051-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-07-12 US disclosed
US-4380625-A Process for the preparation of purified aminoglycoside antibiotics BAYER AKTIENGESELLSCHAFT (DE) 1983-04-19 US disclosed
EP-0032591-B1 PROCESS FOR THE PREPARATION OF PURIFIED AMINOGLYCOSIDE ANTIBIOTICS BAYER AG (DE) 1983-02-02 EP disclosed
EP-0007996-B1 4,6-DI-0-(AMINOGLYCOSYL)-1,3-DIAMINOCYCLITOLS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAYER AG (DE) 1983-01-26 EP disclosed
EP-0032591-A1 Process for the preparation of purified aminoglycoside antibiotics BAYER AG (DE) 1981-07-29 EP disclosed
US-4235888-A SISOMYCIN-TYPE ANTIBIOTICS BAYER AKTIENGESELLSCHAFT (DE) 1980-11-25 US disclosed
US-4190722-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-02-26 US disclosed
EP-0007996-A1 4,6-Di-0-(Aminoglycosyl)-1,3-diaminocyclitols, process for their preparation and pharmaceutical compositions containing them BAYER AG (DE) 1980-02-20 EP disclosed
EP-0000057-A1 Selectively protected 4,6-di-O-(aminoglycosyl)-1,3-diamino-cyclitols BAYER AG (DE) 1978-12-20 EP disclosed