SCHEMBL5333700

SCHEMBL5333700

CCN(c1ccc(Oc2ccc(CC3COC(=O)N3CC)cc2)cc1)c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PGR P06401 1/20 0.35
PKM P14618 1/20 0.33
KMT2A Q03164 4/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 2/20 0.32
HSPB1 P04792 1/20 0.32
MEN1 O00255 3/20 0.32
KCNH2 Q12809 1/20 0.32
AR P10275 1/20 0.31
SLC29A1 Q99808 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL4513857 1.00 GAA (0.35) GAAL3MBTL1PGRPKMKMT2A
SCHEMBL4505020 0.92 GAA (0.35) GAAL3MBTL1PGRPKMKMT2A
SCHEMBL5339982 0.92 GAA (0.35) GAAL3MBTL1PGRPKMKMT2A
SCHEMBL4512824 0.91 PKM (0.36) GAAL3MBTL1PGRPKMKMT2A
SCHEMBL5334888 0.91 PKM (0.36) GAAL3MBTL1PGRPKMKMT2A
SCHEMBL4500711 0.90 HSPB1 (0.36) GAAL3MBTL1PGRSMN1; SMN2MAPT
SCHEMBL5338153 0.90 HSPB1 (0.36) GAAL3MBTL1PGRSMN1; SMN2MAPT
SCHEMBL14543373 0.89 GAA (0.33) GAAL3MBTL1PGRPKMKMT2A
SCHEMBL4228448 0.83 GAA (0.34) GAAL3MBTL1PGRPKMKMT2A
SCHEMBL4512372 0.83 HSPB1 (0.36) GAAL3MBTL1PKMSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007029062-A2 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-15 WO disclosed