SCHEMBL4249330

SCHEMBL4249330

COc1ccc(-n2c(C=CN(C)C)c([N+](=O)[O-])c3ccc(OC(C)=O)c(COC(C)=O)c32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
LMNA P02545 5/20 0.46
MAPT P10636 11/20 0.44
GAA P10253 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 4/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 6/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MMP14 P50281 2/20 0.40
CLK1 P49759 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
POLB P06746 3/20 0.32
VCP P55072 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MAPK1 P28482 2/20 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
SCHEMBL4246818 0.90 ALDH1A1 (0.56) ALDH1A1LMNAMAPTGAATDP1
SCHEMBL5576861 0.84 ALDH1A1 (0.59) ALDH1A1LMNAMAPTGAATDP1
SCHEMBL4288413 0.79 ALDH1A1 (0.73) ALDH1A1LMNAMAPTGAATDP1
SCHEMBL4288409 0.79 ALDH1A1 (0.73) ALDH1A1LMNAMAPTGAATDP1
SCHEMBL4067963 0.76 MAPT (0.55) ALDH1A1LMNAMAPTHTTPKM
SCHEMBL4060483 0.75 ALDH1A1 (0.37) ALDH1A1LMNAMAPTHTTPKM
SCHEMBL4288368 0.74 ALDH1A1 (0.60) ALDH1A1LMNAMAPTGAATDP1
SCHEMBL4288372 0.74 ALDH1A1 (0.60) ALDH1A1LMNAMAPTGAATDP1
SCHEMBL4066326 0.74 MAPT (0.77) ALDH1A1LMNAMAPTGAATDP1
SCHEMBL4241354 0.73 ALDH1A1 (0.49) ALDH1A1LMNAMAPTGAATDP1

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
EP-1960777-B1 SERUM-FREE EXPANSION OF CELLS IN CULTURE CHOONGWAE PHARMA CORP (KR) 2009-10-21 EP disclosed
US-20070128669-A1 Serum-free expansion of cells in culture INSTITUTE FOR CHEMICAL GENOMICS (US) 2007-06-07 US disclosed