SCHEMBL4059111

SCHEMBL4059111

CC(N)=C(C)c1c([N+](=O)[O-])c2ccc(O)cc2n1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.67
GAA P10253 2/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPT P10636 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
CLK1 P49759 1/20 0.50
GSK3B P49841 1/20 0.50
DYRK1A Q13627 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 5/20 0.39
PKM P14618 2/20 0.38
GFER P55789 1/20 0.38
DCTPP1 Q9H773 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 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
SCHEMBL4060136 0.90 HTT (0.69) HTTGAAKDM4EMAPTTDP1
SCHEMBL4066324 0.87 CLK1 (0.69) HTTGAAKDM4EMAPTTDP1
SCHEMBL4065608 0.80 HTT (1.00) HTTGAAKDM4EMAPTTDP1
SCHEMBL4063240 0.73 HTT (0.58) HTTGAAKDM4EMAPTTDP1
SCHEMBL4059114 0.73 MAPT (1.00) HTTGAAKDM4EMAPTTDP1
SCHEMBL4795234 0.70 CLK1 (0.85) HTTGAAKDM4EMAPTTDP1
SCHEMBL4066988 0.70 HTT (1.00) HTTGAAKDM4EMAPTTDP1
SCHEMBL28107505 0.69 HTT (0.56) HTTGAAKDM4EMAPTTDP1
SCHEMBL4071064 0.68 HTT (0.81) HTTGAAKDM4EMAPTTDP1
Acetic Acid SCHEMBL4066978 0.68 CLK1 (0.91) HTTGAAKDM4EMAPTTDP1

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