SCHEMBL8024466

SCHEMBL8024466

CCC(=NOC)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.55
CTNNB1 P35222 1/20 0.55
GAA P10253 2/20 0.50
MGLL Q99685 2/20 0.49
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL8024709 0.82 BCL9 (0.64) BCL9CTNNB1GAAMGLLKMT2A
SCHEMBL7063519 0.78 GAA (0.65) BCL9CTNNB1GAAMGLLKMT2A
SCHEMBL2294100 0.77 BCL9 (0.76) BCL9CTNNB1GAAMGLLKMT2A
SCHEMBL7061678 0.77 GAA (0.60) BCL9CTNNB1GAAMGLLKMT2A
SCHEMBL161868 0.76 BCL9 (0.74) BCL9CTNNB1GAAMGLLKMT2A
SCHEMBL27716579 0.75 BCL9 (0.73) BCL9CTNNB1GAAMGLLKMT2A
SCHEMBL3989423 0.75 GAA (0.62) BCL9CTNNB1GAAMGLLKMT2A
SCHEMBL11583339 0.73 BCL9 (0.61) BCL9CTNNB1GAAMGLLKMT2A
Alcohol SCHEMBL20595561 0.73 BCL9 (0.66) BCL9CTNNB1GAAMGLLKMT2A
SCHEMBL28018668 0.73 BCL9 (0.57) BCL9CTNNB1GAAMGLLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675133-B1 13-Substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 2000-01-12 EP disclosed
US-5614470-A AGRICULTURAL ANTHELMINTIC, ACARICIDE, INSECTICIDE SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
EP-0675133-A1 13-Substituted milbemycin derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1995-10-04 EP disclosed