SCHEMBL4542085

SCHEMBL4542085

Cn1ccc(=O)c(O)c1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
KDM6A O15550 1/20 0.55
KDM4A O75164 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KDM5C P41229 1/20 0.55
KDM2B Q8NHM5 1/20 0.55
DOHH Q9BU89 1/20 0.55
KDM2A Q9Y2K7 1/20 0.55
COMT P21964 2/20 0.36
MMP1 P03956 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
HTT P42858 2/20 0.33
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL13386378 0.82 KDM4E (0.49) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL18680414 0.81 KDM4E (0.55) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL4539731 0.74 TUBB4A (0.36) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL13759838 0.74 KDM4E (0.61) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL987079 0.73 KDM4E (0.50) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL2115732 0.73 KDM4E (0.55) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL2117161 0.72 KDM4E (0.49) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL12249885 0.72 KDM4E (0.53) KDM4EKDM6AKDM4ACYP2C9CYP2C19
Deferiprone SCHEMBL20775057 0.71 KDM4E (1.00) KDM4EKDM6AKDM4ACYP2C9CYP2C19
Deferiprone SCHEMBL94474 0.71 KDM4E (1.00) KDM4EKDM6AKDM4ACYP2C9CYP2C19

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
WO-2009103950-A1 FLUORINATED PYRIDIN-4-0NES BTG INTERNATIONAL LIMITED (GB) 2009-08-27 WO disclosed
WO-2009103950-A1 FLUORINATED PYRIDIN-4-0NES BTG INTERNATIONAL LIMITED (GB) 2009-08-27 WO disclosed