SCHEMBL11067069

SCHEMBL11067069

O=[N+]([O-])c1ccc(OSc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.43
KDM4A O75164 1/20 0.43
TDP2 O95551 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
HTT P42858 2/20 0.41
RAB9A P51151 1/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41

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 0.84 TXNRD1 (0.62) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL11805291 0.81 TXNRD1 (0.58) PDE7AMEN1KMT2AALDH1A1LMNA
SCHEMBL11355337 0.80 ALDH1A1 (0.44) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL11404352 0.78 ALDH1A1 (0.52) PDE7ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9321346 0.77 PDE7A (0.55) PDE7ASMN1; SMN2MEN1KDM4ATDP2
SCHEMBL24063592 0.74 ALDH1A1 (0.53) PDE7ASMN1; SMN2MEN1KDM4ATDP2
SCHEMBL11499701 0.74 PDE7A (0.56) PDE7ASMN1; SMN2MEN1KDM4ATDP2
SCHEMBL18928136 0.74 PDE7A (0.51) PDE7ASMN1; SMN2MEN1KDM4ATDP2
SCHEMBL11067211 0.73 HSD17B10 (0.47) PDE7AALDH1A1HTTHSPB1GAA
SCHEMBL3917921 0.71 PDE7A (0.49) PDE7ASMN1; SMN2MEN1KDM4ATDP2

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