SCHEMBL4331856

SCHEMBL4331856

CC(O)CCOc1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.62
CHRNA4 P43681 1/20 0.62
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
MAOB P27338 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
LTA4H P09960 1/20 0.46
PTGS2 P35354 1/20 0.46
MAPT P10636 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
SCHEMBL10420079 0.93 CHRNB2 (0.60) CHRNB2CHRNA4HPGDLMNAMAOB
SCHEMBL13251266 0.88 CHRNB2 (0.65) CHRNB2CHRNA4HPGDLMNAMAOB
Methane SCHEMBL27262738 0.87 CHRNB2 (0.63) CHRNB2CHRNA4HPGDLMNAMAOB
SCHEMBL7870934 0.84 CHRNB2 (0.57) CHRNB2CHRNA4HPGDLMNAMAOB
SCHEMBL15498199 0.83 CHRNB2 (0.73) CHRNB2CHRNA4HPGDLMNAMAOB
SCHEMBL12746091 0.83 CHRNB2 (0.62) CHRNB2CHRNA4HPGDLMNAMAOB
SCHEMBL31520919 0.83 CHRNB2 (0.62) CHRNB2CHRNA4HPGDLMNAMAOB
SCHEMBL6138558 0.82 MAPT (0.57) ALDH1A1MAPT
SCHEMBL363891 0.81 CHRNB2 (0.59) CHRNB2CHRNA4HPGDLMNAMAOB
SCHEMBL2374109 0.80 CHRNB2 (0.70) CHRNB2CHRNA4HPGDLMNAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102169-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS AstraZeneca AB (SE) 2009-09-23 EP disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed