SCHEMBL8899859

SCHEMBL8899859

O=[N+]([O-])c1cc(Cl)c2ccccc2c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.63
MEN1 O00255 5/20 0.63
MAPT P10636 5/20 0.63
KMT2A Q03164 5/20 0.63
PKM P14618 4/20 0.63
HTT P42858 3/20 0.63
TDP1 Q9NUW8 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
LMNA P02545 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
CASP6 P55212 2/20 0.57
ALDH1A1 P00352 4/20 0.55
HSP90AA1 P07900 1/20 0.55
OPRK1 P41145 1/20 0.55
GPR35 Q9HC97 3/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
S100A4 P26447 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL5692623 0.86 TDP1 (0.63) KDM4EMEN1MAPTKMT2APKM
SCHEMBL458 0.83 CASP6 (0.62) KDM4EMEN1MAPTKMT2APKM
SCHEMBL29401731 0.83 CASP6 (0.62) KDM4EMEN1MAPTKMT2APKM
SCHEMBL1740621 0.81 CASP6 (0.61) KDM4EMEN1MAPTKMT2APKM
SCHEMBL28582319 0.81 CTSB (0.61) KDM4EMEN1MAPTKMT2AHTT
SCHEMBL1740623 0.81 CASP6 (0.61) KDM4EMEN1MAPTKMT2APKM
SCHEMBL15302617 0.81 TDP1 (0.50) KDM4EMEN1MAPTKMT2APKM
SCHEMBL12192902 0.79 CASP6 (0.57) KDM4EMEN1MAPTKMT2APKM
SCHEMBL7806886 0.79 CASP6 (0.57) KDM4EMEN1MAPTKMT2APKM
SCHEMBL2111476 0.78 MAPT (1.00) KDM4EMEN1MAPTKMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0486470-B1 An aromatic substituted glycoside HOECHST CELANESE CORP (US) 1997-01-29 EP disclosed
EP-0263435-B1 An aromatic substituted glycoside HOECHST CELANESE CORP (US) 1995-04-19 EP disclosed
US-5320954-A Enzymatic glucosylation with cyclodextrins; substrate for determining amylase HOECHST CELANESE CORPORATION (US) 1994-06-14 US disclosed
US-5158872-A Amalyase analysis HOECHST CELANESE CORPORATION (US) 1992-10-27 US disclosed
EP-0486470-A1 An aromatic substituted glycoside HOECHST CELANESE CORPORATION (US) 1992-05-20 EP disclosed
US-4963479-A INCLUDING BUFFER AND ENZYME ACTIVATOR HOECHST CELANESE CORPORATION (US) 1990-10-16 US disclosed
EP-0263435-A2 An aromatic substituted glycoside HOECHST CELANESE CORPORATION (US) 1988-04-13 EP disclosed