SCHEMBL4092540

SCHEMBL4092540

CN1CCC2(C)c3cc(O)ccc3N(C)C12.CNC(=O)O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.81
CYP2D6 P10635 3/20 0.81
HIF1A Q16665 3/20 0.81
HSD17B10 Q99714 3/20 0.81
TP53 P04637 2/20 0.81
ALOX15 P16050 2/20 0.81
MAPT P10636 2/20 0.81
CYP1A2 P05177 2/20 0.81
MEN1 O00255 2/20 0.81
KMT2A Q03164 2/20 0.81
MTOR P42345 1/20 0.81
CYP3A4 P08684 1/20 0.81
CYP2C9 P11712 1/20 0.81
CYP2C19 P33261 1/20 0.81
THPO P40225 1/20 0.81
FTO Q9C0B1 1/20 0.81
ALDH1A1 P00352 5/20 0.79
SMN1; SMN2 Q16637 3/20 0.79
LMNA P02545 2/20 0.79
BLM P54132 2/20 0.79

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
SCHEMBL4104614 1.00 KDM4E (0.81) KDM4ECYP2D6HIF1AHSD17B10TP53
Carbamic Acid SCHEMBL2453716 0.90 KDM4E (0.85) KDM4ECYP2D6HIF1AHSD17B10TP53
SCHEMBL150459 0.90 KDM4E (1.00) KDM4ECYP2D6HIF1AHSD17B10TP53
SCHEMBL12083012 0.90 KDM4E (1.00) KDM4ECYP2D6HIF1AHSD17B10TP53
SCHEMBL30142606 0.90 KDM4E (1.00) KDM4ECYP2D6HIF1AHSD17B10TP53
SCHEMBL150460 0.90 KDM4E (1.00) KDM4ECYP2D6HIF1AHSD17B10TP53
SCHEMBL2453645 0.90 KDM4E (1.00) KDM4ECYP2D6HIF1AHSD17B10TP53
SCHEMBL12849250 0.90 KDM4E (1.00) KDM4ECYP2D6HIF1AHSD17B10TP53
SCHEMBL22215232 0.90 KDM4E (1.00) KDM4ECYP2D6HIF1AHSD17B10TP53
Fumaric Acid SCHEMBL29360188 0.88 KDM4E (1.00) KDM4ECYP2D6HIF1AHSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203607-A1 Method And Compositions For Simultaneously Regulating Memory And Mood BRC OPERATIONS PTY LIMITED (AU) 2009-08-13 US disclosed
WO-2008083442-A1 METHOD FOR FORMULATING COMBINATION MEDICATIONS FOR ADHD BRC OPERATIONS PTY LIMITED (AU) 2008-07-17 WO disclosed
WO-2008019431-A1 METHOD AND COMPOSITIONS FOR SIMULTANEOUSLY REGULATING MEMORY AND MOOD BRC OPERATIONS PTY LIMITED (AU) 2008-02-21 WO disclosed
US-6264974-B1 AQUEOUS SOLUTION SALVAGNINI ITALIA SPA (IT) 2001-07-24 US disclosed