SCHEMBL4066980

SCHEMBL4066980

COc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(OC(C)=O)cc32)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.73
GSK3B P49841 1/20 0.73
DYRK1A Q13627 1/20 0.73
CLK4 Q9HAZ1 1/20 0.73
DYRK1B Q9Y463 1/20 0.73
POLB P06746 2/20 0.58
HTT P42858 8/20 0.56
LMNA P02545 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 6/20 0.49
PKM P14618 2/20 0.49
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 2/20 0.46
HIF1A Q16665 1/20 0.46
USP14 P54578 2/20 0.46
TP53 P04637 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 1/20 0.44
ALOX15 P16050 1/20 0.43

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
Acetic Acid SCHEMBL4066978 0.85 CLK1 (0.91) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL30697294 0.85 CLK1 (1.00) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4063265 0.85 CLK1 (1.00) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4062708 0.82 CLK1 (0.93) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4795234 0.78 CLK1 (0.85) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4066650 0.77 CLK1 (0.70) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL10095238 0.75 ALDH1A1 (0.67) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL5576861 0.75 ALDH1A1 (0.59) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL15503744 0.74 POLB (1.00) POLBHTTALDH1A1MAPTPKM
SCHEMBL10095235 0.73 CLK1 (0.58) CLK1GSK3BDYRK1ACLK4DYRK1B

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