SCHEMBL5333522

SCHEMBL5333522

CCN1C(=O)OCC1Cc1ccc(Oc2ccc(N(C)c3ccc([N+](=O)[O-])cn3)cc2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.36
TDP2 O95551 1/20 0.33
PKM P14618 1/20 0.32
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL4512372 1.00 HSPB1 (0.36) HSPB1TDP2PKMGAAL3MBTL1
SCHEMBL5338153 0.92 HSPB1 (0.36) HSPB1TDP2GAAL3MBTL1ALDH1A1
SCHEMBL4500711 0.92 HSPB1 (0.36) HSPB1TDP2GAAL3MBTL1ALDH1A1
SCHEMBL4497632 0.92 HSPB1 (0.37) HSPB1TDP2PKMGAAL3MBTL1
SCHEMBL5333924 0.92 HSPB1 (0.37) HSPB1TDP2PKMGAAL3MBTL1
SCHEMBL4229234 0.91 HSPB1 (0.35) HSPB1TDP2PKMGAAL3MBTL1
SCHEMBL5334888 0.90 PKM (0.36) HSPB1PKMGAAL3MBTL1ALDH1A1
SCHEMBL4512824 0.90 PKM (0.36) HSPB1PKMGAAL3MBTL1ALDH1A1
SCHEMBL4506374 0.87 SCN9A (0.33) L3MBTL1LMNAMAPTKDM4C
SCHEMBL5329457 0.87 SCN9A (0.33) L3MBTL1LMNAMAPTKDM4C

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