SCHEMBL11067211

SCHEMBL11067211

O=[N+]([O-])c1ccc(OSc2cc(Cl)c(Cl)cc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
PDE7A Q13946 9/20 0.43
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE7B Q9NP56 1/20 0.41
HSPB1 P04792 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
PTPN7 P35236 1/20 0.38
PTPN12 Q05209 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL11064622 0.76 TXNRD1 (0.62) HSPB1GAAALDH1A1MAPK1HTT
SCHEMBL11067104 0.76 HSPB1 (0.43) HSD17B10PDE7AHSPB1GAAALDH1A1
SCHEMBL10924733 0.76 PDE7A (0.63) HSD17B10PDE7APDE4BPDE4DPDE7B
SCHEMBL11067069 0.73 PDE7A (0.45) PDE7AHSPB1GAAALDH1A1CA1
SCHEMBL11683124 0.72 PDE7A (0.63) HSD17B10PDE7AHSPB1GAAALDH1A1
SCHEMBL19981336 0.72 HSPB1 (0.50) HSD17B10HSPB1GAAALDH1A1CA1
SCHEMBL11404352 0.70 ALDH1A1 (0.52) HSD17B10PDE7AHSPB1GAAALDH1A1
SCHEMBL5406989 0.70 HSD17B10 (0.63) HSD17B10PDE7AHSPB1ALDH1A1MAPK1
SCHEMBL11355337 0.70 ALDH1A1 (0.44) HSPB1GAAALDH1A1HTT
SCHEMBL18914339 0.69 CA1 (0.53) HSD17B10HSPB1GAAALDH1A1CA1

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 13 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-0000057-B1 SELECTIVELY PROTECTED 4,6-DI-O-(AMINOGLYCOSYL)-1,3-DIAMINO-CYCLITOLS BAYER AG (DE) 1982-07-14 EP disclosed
EP-0032591-A1 Process for the preparation of purified aminoglycoside antibiotics BAYER AG (DE) 1981-07-29 EP disclosed
EP-0021215-A1 Pseudotrisaccharides, their preparation and use as medicaments BAYER AG (DE) 1981-01-07 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