SCHEMBL4549933

SCHEMBL4549933

COc1c(O)c(=O)ccn1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
CYP2C9 P11712 2/20 0.57
KDM6A O15550 1/20 0.57
KDM4A O75164 1/20 0.57
CYP2C19 P33261 1/20 0.57
KDM5C P41229 1/20 0.57
KDM2B Q8NHM5 1/20 0.57
DOHH Q9BU89 1/20 0.57
KDM2A Q9Y2K7 1/20 0.57
COMT P21964 2/20 0.37
HDAC4 P56524 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 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

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
Deferiprone SCHEMBL94474 0.72 KDM4E (1.00) KDM4ECYP2C9KDM6AKDM4ACYP2C19
Deferiprone SCHEMBL20775057 0.72 KDM4E (1.00) KDM4ECYP2C9KDM6AKDM4ACYP2C19
SCHEMBL869287 0.72 KDM4E (0.62) KDM4ECYP2C9KDM6AKDM4ACYP2C19
SCHEMBL13759838 0.71 KDM4E (0.61) KDM4ECYP2C9KDM6AKDM4ACYP2C19
Deferiprone SCHEMBL10464107 0.71 KDM4E (0.96) KDM4ECYP2C9KDM6AKDM4ACYP2C19
Deferiprone SCHEMBL692741 0.71 KDM4E (0.96) KDM4ECYP2C9KDM6AKDM4ACYP2C19
Hydrochloric Acid SCHEMBL10404502 0.71 KDM4E (0.60) KDM4ECYP2C9KDM6AKDM4ACYP2C19
SCHEMBL867532 0.71 KDM4E (0.55) KDM4ECYP2C9KDM6AKDM4ACYP2C19
SCHEMBL2118709 0.68 KDM4E (0.57) KDM4ECYP2C9KDM6AKDM4ACYP2C19
SCHEMBL2608129 0.68 KDM4E (0.57) KDM4ECYP2C9KDM6AKDM4ACYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120105553-A1 AQUEOUS INKJET PRINTING FLUID COMPOSITIONS KODAK (NEAR EAST) INC. 2012-05-03 US disclosed