SCHEMBL4060137

SCHEMBL4060137

Cc1ccc(-n2c(C=CN(C)C)c([N+](=O)[O-])c3ccc(O)cc32)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.82
KDM4E B2RXH2 4/20 0.82
GAA P10253 3/20 0.82
TDP1 Q9NUW8 1/20 0.82
HTT P42858 5/20 0.66
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
MMP14 P50281 3/20 0.47
POLB P06746 2/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 2/20 0.34
ESR1 P03372 1/20 0.34
ALOX12 P18054 1/20 0.34
LMNA P02545 3/20 0.34
KMT2A Q03164 1/20 0.34
PKM P14618 2/20 0.32

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
SCHEMBL4059114 0.90 MAPT (1.00) MAPTKDM4EGAATDP1HTT
SCHEMBL4066326 0.89 MAPT (0.77) MAPTKDM4EGAATDP1HTT
SCHEMBL4066988 0.80 HTT (1.00) MAPTKDM4EGAATDP1HTT
SCHEMBL4285556 0.78 CLK1 (0.63) MAPTKDM4EGAATDP1HTT
SCHEMBL4064388 0.78 CLK1 (0.63) MAPTKDM4EGAATDP1HTT
SCHEMBL4289356 0.76 MAPT (0.73) MAPTKDM4EGAATDP1HTT
SCHEMBL4289357 0.76 MAPT (0.73) MAPTKDM4EGAATDP1HTT
SCHEMBL4239438 0.76 MAPT (0.49) MAPTKDM4EGAATDP1HTT
SCHEMBL4060136 0.73 HTT (0.69) MAPTKDM4EGAATDP1HTT
SCHEMBL4062708 0.73 CLK1 (0.93) MAPTKDM4EGAATDP1HTT

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