SCHEMBL5334888

SCHEMBL5334888

CCN1C(=O)OCC1Cc1ccc(Oc2ccc(N(C)c3ccc([N+](=O)[O-])cn3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
KDM4C Q9H3R0 2/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 5/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PGR P06401 1/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
HSPB1 P04792 1/20 0.32
MEN1 O00255 4/20 0.32
KCNH2 Q12809 1/20 0.31
LTA4H P09960 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 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
SCHEMBL4512824 1.00 PKM (0.36) PKMKDM4CGAAL3MBTL1KMT2A
SCHEMBL5333700 0.91 GAA (0.35) PKMGAAL3MBTL1KMT2ANPC1
SCHEMBL4513857 0.91 GAA (0.35) PKMGAAL3MBTL1KMT2ANPC1
SCHEMBL4517058 0.90 PKM (0.36) PKMKDM4CGAAL3MBTL1KMT2A
SCHEMBL5337499 0.90 PKM (0.36) PKMKDM4CGAAL3MBTL1KMT2A
SCHEMBL5333522 0.90 HSPB1 (0.36) PKMKDM4CGAAL3MBTL1ALDH1A1
SCHEMBL4512372 0.90 HSPB1 (0.36) PKMKDM4CGAAL3MBTL1ALDH1A1
SCHEMBL13763323 0.85 KDM4C (0.36) KDM4C
SCHEMBL5335041 0.83 KDM4C (0.40) KDM4C
SCHEMBL4509181 0.83 KDM4C (0.40) KDM4C

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