SCHEMBL4066326

SCHEMBL4066326

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.77
GAA P10253 3/20 0.77
TDP1 Q9NUW8 2/20 0.77
KDM4E B2RXH2 1/20 0.77
CLK1 P49759 1/20 0.67
GSK3B P49841 1/20 0.67
DYRK1A Q13627 1/20 0.67
CLK4 Q9HAZ1 1/20 0.67
DYRK1B Q9Y463 1/20 0.67
HTT P42858 7/20 0.51
ALDH1A1 P00352 6/20 0.45
LMNA P02545 3/20 0.45
MMP14 P50281 2/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
PKM P14618 3/20 0.42
HPGD P15428 3/20 0.42
MAPK1 P28482 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 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
SCHEMBL4060137 0.89 MAPT (0.82) MAPTGAATDP1KDM4ECLK1
SCHEMBL4059114 0.87 MAPT (1.00) MAPTGAATDP1KDM4ECLK1
SCHEMBL4285556 0.81 CLK1 (0.63) MAPTGAATDP1KDM4ECLK1
SCHEMBL4064388 0.81 CLK1 (0.63) MAPTGAATDP1KDM4ECLK1
SCHEMBL4063265 0.80 CLK1 (1.00) MAPTGAATDP1KDM4ECLK1
SCHEMBL30697294 0.80 CLK1 (1.00) MAPTGAATDP1KDM4ECLK1
SCHEMBL4288409 0.78 ALDH1A1 (0.73) MAPTGAATDP1KDM4ECLK1
SCHEMBL4288413 0.78 ALDH1A1 (0.73) MAPTGAATDP1KDM4ECLK1
SCHEMBL4062708 0.78 CLK1 (0.93) MAPTGAATDP1KDM4ECLK1
SCHEMBL4241354 0.77 ALDH1A1 (0.49) MAPTGAATDP1KDM4ECLK1

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