SCHEMBL4071064

SCHEMBL4071064

Cc1c([N+](=O)[O-])c2ccc(O)cc2n1-c1ccc(Cl)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.81
CLK1 P49759 1/20 0.74
GSK3B P49841 1/20 0.74
DYRK1A Q13627 1/20 0.74
CLK4 Q9HAZ1 1/20 0.74
DYRK1B Q9Y463 1/20 0.74
USP14 P54578 3/20 0.51
MAPT P10636 5/20 0.50
GAA P10253 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 2/20 0.40
PKM P14618 1/20 0.39
MIF P14174 1/20 0.39
NOTUM Q6P988 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38

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
SCHEMBL4066988 0.90 HTT (1.00) HTTCLK1GSK3BDYRK1ACLK4
SCHEMBL4065608 0.87 HTT (1.00) HTTCLK1GSK3BDYRK1ACLK4
SCHEMBL30697294 0.85 CLK1 (1.00) HTTCLK1GSK3BDYRK1ACLK4
SCHEMBL4063265 0.85 CLK1 (1.00) HTTCLK1GSK3BDYRK1ACLK4
SCHEMBL4062708 0.82 CLK1 (0.93) HTTCLK1GSK3BDYRK1ACLK4
SCHEMBL14863869 0.82 CLK1 (0.77) HTTCLK1GSK3BDYRK1ACLK4
Acetic Acid SCHEMBL4066978 0.81 CLK1 (0.91) HTTCLK1GSK3BDYRK1ACLK4
SCHEMBL4795234 0.79 CLK1 (0.85) HTTCLK1GSK3BDYRK1ACLK4
SCHEMBL4060302 0.73 HTT (0.67) HTTCLK1GSK3BDYRK1ACLK4
SCHEMBL4060136 0.72 HTT (0.69) HTTCLK1GSK3BDYRK1ACLK4

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