SCHEMBL4068556

SCHEMBL4068556

COc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(O)c(CN(CCO)CCO)c32)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.82
LMNA P02545 5/20 0.82
MAPT P10636 4/20 0.82
PKM P14618 2/20 0.82
ALDH1A1 P00352 9/20 0.79
NPSR1 Q6W5P4 1/20 0.64
CLK1 P49759 1/20 0.53
GSK3B P49841 1/20 0.53
DYRK1A Q13627 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
DYRK1B Q9Y463 1/20 0.53
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
CASP6 P55212 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4283225 0.90 HTT (1.00) HTTLMNAMAPTPKMALDH1A1
SCHEMBL4060535 0.90 HTT (0.77) HTTLMNAMAPTPKMALDH1A1
SCHEMBL4284501 0.88 ALDH1A1 (1.00) HTTLMNAMAPTPKMALDH1A1
SCHEMBL4389559 0.81 ALDH1A1 (0.67) HTTLMNAMAPTPKMALDH1A1
Hydrochloric Acid SCHEMBL4067028 0.80 ALDH1A1 (0.66) HTTLMNAMAPTPKMALDH1A1
SCHEMBL4062560 0.79 MAPT (0.98) HTTLMNAMAPTPKMALDH1A1
Hydrochloric Acid SCHEMBL4290512 0.78 MAPT (1.00) HTTLMNAMAPTPKMALDH1A1
SCHEMBL4281505 0.77 ALDH1A1 (1.00) HTTLMNAMAPTPKMALDH1A1
SCHEMBL4286778 0.75 ALDH1A1 (0.83) HTTLMNAMAPTPKMALDH1A1
SCHEMBL4063361 0.75 ALDH1A1 (0.64) HTTLMNAMAPTPKMALDH1A1

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 4 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
EP-1960777-A2 SERUM-FREE EXPANSION OF CELLS IN CULTURE Choongwae Pharma Corporation (KR) 2008-08-27 EP disclosed
US-20070128669-A1 Serum-free expansion of cells in culture INSTITUTE FOR CHEMICAL GENOMICS (US) 2007-06-07 US disclosed
WO-2007062243-A2 SERUM-FREE EXPANSION OF CELLS IN CULTURE CHOONGWAE PHARMA CORPORATION (KR) 2007-05-31 WO disclosed