SCHEMBL4066650

SCHEMBL4066650

COc1ccc(-n2c(C)c([N+](=O)[O-])c3cc(Br)c(O)cc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.70
GSK3B P49841 1/20 0.70
DYRK1A Q13627 1/20 0.70
CLK4 Q9HAZ1 1/20 0.70
DYRK1B Q9Y463 1/20 0.70
ALDH1A1 P00352 6/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 9/20 0.53
MAPT P10636 6/20 0.52
PKM P14618 3/20 0.52
NPSR1 Q6W5P4 2/20 0.49
HPGD P15428 3/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HIF1A Q16665 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42

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
SCHEMBL4063265 0.82 CLK1 (1.00) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL30697294 0.82 CLK1 (1.00) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL10095238 0.82 ALDH1A1 (0.67) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4062708 0.80 CLK1 (0.93) CLK1GSK3BDYRK1ACLK4DYRK1B
Acetic Acid SCHEMBL4066978 0.79 CLK1 (0.91) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4066980 0.77 CLK1 (0.73) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4056293 0.77 CLK1 (0.43) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4795234 0.76 CLK1 (0.85) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL14863869 0.70 CLK1 (0.77) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4063361 0.70 ALDH1A1 (0.64) 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