SCHEMBL6955232

SCHEMBL6955232

COC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)CCl

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.61
FBP1 P09467 1/20 0.52
LMNA P02545 4/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
NTSR1 P30989 1/20 0.51
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
HTT P42858 1/20 0.47
PAX8 Q06710 1/20 0.47
NFE2L2 Q16236 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL7265045 0.91 GLO1 (0.73) GLO1FBP1LMNAALDH1A1KDM4E
SCHEMBL7475824 0.88 GLO1 (0.78) GLO1FBP1LMNAALDH1A1KDM4E
SCHEMBL7475820 0.88 GLO1 (0.78) GLO1FBP1LMNAALDH1A1KDM4E
SCHEMBL10757963 0.88 GLO1 (0.78) GLO1FBP1LMNAALDH1A1KDM4E
SCHEMBL11733751 0.88 GLO1 (0.61) GLO1FBP1LMNAALDH1A1KDM4E
SCHEMBL30296654 0.86 GLO1 (0.79) GLO1FBP1LMNAALDH1A1KDM4E
SCHEMBL6271817 0.86 GLO1 (0.79) GLO1FBP1LMNAALDH1A1KDM4E
SCHEMBL9667966 0.86 GLO1 (0.79) GLO1FBP1LMNAALDH1A1KDM4E
SCHEMBL30477011 0.86 GLO1 (0.79) GLO1FBP1LMNAALDH1A1KDM4E
SCHEMBL6271821 0.86 GLO1 (0.79) GLO1FBP1LMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 EP disclosed
US-6482841-B1 Pyridyl compounds and pharmaceutical compositions containing them CERMOL S.A. (CH) 2002-11-19 US disclosed
EP-1023267-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 2000-08-02 EP disclosed
WO-1999019302-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 1999-04-22 WO disclosed