SCHEMBL4066324

SCHEMBL4066324

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.69
GSK3B P49841 1/20 0.69
DYRK1A Q13627 1/20 0.69
CLK4 Q9HAZ1 1/20 0.69
DYRK1B Q9Y463 1/20 0.69
HTT P42858 7/20 0.53
MAPT P10636 8/20 0.44
GAA P10253 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 6/20 0.42
LMNA P02545 4/20 0.42
PKM P14618 3/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4060136 0.88 HTT (0.69) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4059111 0.87 HTT (0.67) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4063265 0.82 CLK1 (1.00) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL30697294 0.82 CLK1 (1.00) CLK1GSK3BDYRK1ACLK4DYRK1B
Acetic Acid SCHEMBL4066978 0.81 CLK1 (0.91) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4062708 0.79 CLK1 (0.93) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4795234 0.76 CLK1 (0.85) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4066326 0.75 MAPT (0.77) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4064388 0.71 CLK1 (0.63) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4285556 0.71 CLK1 (0.63) 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