SCHEMBL8935763

SCHEMBL8935763

CCOC(=O)CN(CC(=O)OCC)Cc1cccc(-c2cc(-c3ccc(OC)c(N)c3)cc(-c3cccc(CN(CC(=O)OCC)CC(=O)OCC)n3)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ADORA2A P29274 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PIM1 P11309 1/20 0.34
APP P05067 2/20 0.34
CACNB4 O00305 2/20 0.33
CACNA1A O00555 2/20 0.33
CACNA1G O43497 2/20 0.33
CACNG3 O60359 2/20 0.33
CACNA1F O60840 2/20 0.33
CACNA1H O95180 2/20 0.33
ACHE P22303 2/20 0.33

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
SCHEMBL7770592 0.94 L3MBTL1 (0.42) KDRADORA2ALMNAHCRTR1HCRTR2
SCHEMBL7717266 0.88 ADORA2A (0.37) MEN1KMT2AADORA2ALMNAHCRTR1
SCHEMBL30803820 0.88 ADORA2A (0.37) MEN1KMT2AADORA2ALMNAHCRTR1
SCHEMBL8936038 0.87 ADORA2A (0.37) MEN1KMT2AADORA2ALMNAHCRTR1
SCHEMBL8935948 0.86 ADORA2A (0.36) MEN1KMT2AADORA2ALMNAHCRTR1
SCHEMBL8755383 0.86 ALDH1A1 (0.40) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL8935801 0.85 ALDH1A1 (0.42) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL8935762 0.85 KMT2A (0.43) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL8755637 0.85 SMN1; SMN2 (0.45) MEN1KMT2AALDH1A1L3MBTL1PIM1
SCHEMBL8547909 0.83 KDR (0.37) KDRMEN1KMT2AUSP2LMNA

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
US-5539117-A 2-acetyl-6-cyanopyridines and their use as intermediates in the synthesis of oligo-2,6-pyridines GE HEALTHCARE AS (NO) 1996-07-23 US disclosed
US-5350696-A 2-acetyl-6-cyanopyridines and their use as intermediates in the synthesis of oligo-2,6-pyridines STERLING WINTHROP, INC. (US) 1994-09-27 US disclosed