SCHEMBL4063240

SCHEMBL4063240

N=C(N)SCc1c([N+](=O)[O-])c2ccc(O)cc2n1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.58
MAPT P10636 6/20 0.51
KDM4E B2RXH2 3/20 0.51
GAA P10253 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
CLK1 P49759 1/20 0.44
GSK3B P49841 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
HPGD P15428 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 4/20 0.42
GPR55 Q9Y2T6 2/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C9 P11712 2/20 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
SCHEMBL4065608 0.74 HTT (1.00) HTTMAPTKDM4EGAATDP1
SCHEMBL4059111 0.73 HTT (0.67) HTTMAPTKDM4EGAATDP1
SCHEMBL4059114 0.67 MAPT (1.00) HTTMAPTKDM4EGAATDP1
SCHEMBL28107505 0.66 HTT (0.56) HTTMAPTKDM4EGAATDP1
SCHEMBL4795234 0.65 CLK1 (0.85) HTTMAPTKDM4EGAATDP1
SCHEMBL4066988 0.65 HTT (1.00) HTTMAPTKDM4EGAATDP1
SCHEMBL4060136 0.64 HTT (0.69) HTTMAPTKDM4EGAATDP1
SCHEMBL4071064 0.63 HTT (0.81) HTTMAPTKDM4EGAATDP1
SCHEMBL10752519 0.62 KDM4E (0.67) HTTMAPTKDM4EGAATDP1
SCHEMBL4066324 0.62 CLK1 (0.69) HTTMAPTKDM4EGAATDP1

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