SCHEMBL7770566

SCHEMBL7770566

CCOC(=O)CN(CC(=O)OCC)Cc1cccc(-c2cc(-c3ccc(OC)c([N+](=O)[O-])c3)cc(-c3ccccn3)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 6/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ADORA2A P29274 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL8935801 0.94 ALDH1A1 (0.42) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL7770592 0.87 L3MBTL1 (0.42) ALDH1A1LMNAL3MBTL1KDM4EHTT
SCHEMBL7770589 0.84 PPARG (0.41) ALDH1A1MAPTL3MBTL1KDM4EGAA
SCHEMBL8935970 0.84 GRK6 (0.45) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL8934919 0.82 ALDH1A1 (0.38) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL7848755 0.81 PDGFRB (0.54) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL7770369 0.81 PPARG (0.41) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL8935763 0.80 KDR (0.37) ALDH1A1LMNAL3MBTL1HTTMEN1
SCHEMBL8548153 0.79 ALDH1A1 (0.43) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL7774104 0.77 ADORA2A (0.43) ALDH1A1KDM4EADORA2A

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
US-6248870-B1 OLIGO-2,6-PYRIMIDINE COMPLEXING AGENT. NYCOMED IMAGING AS (NO) 2001-06-19 US disclosed
US-5817774-A Unsymmetrical complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions and methods STERLING WINTHROP INCORPORATION (US) 1998-10-06 US disclosed
US-5559214-A Unsymmetrical complexing agents and targeting immunoreagents useful in thearpeutic and diagnostic compositions and methods STERLING WINTHROP INC. (US) 1996-09-24 US disclosed