Deferiprone

Deferiprone

SCHEMBL28405012

Cc1c(O)c(=O)ccn1C.O=C(O)/C=C\C(=O)O

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol

The experimentally established mechanism targets of Deferiprone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 known ✓ Q9Y5N1 2/20 0.36
KDM4E B2RXH2 2/20 0.76
KDM6A O15550 1/20 0.76
KDM4A O75164 1/20 0.76
CYP2C9 P11712 1/20 0.76
CYP2C19 P33261 1/20 0.76
KDM5C P41229 1/20 0.76
KDM2B Q8NHM5 1/20 0.76
DOHH Q9BU89 1/20 0.76
KDM2A Q9Y2K7 1/20 0.76
COMT P21964 2/20 0.47
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
CYP2D6 P10635 1/20 0.44
MMP1 P03956 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38

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 SCHEMBL20775057 0.87 KDM4E (1.00) KDM4EKDM6AKDM4ACYP2C9CYP2C19
Deferiprone SCHEMBL94474 0.87 KDM4E (1.00) KDM4EKDM6AKDM4ACYP2C9CYP2C19
Deferiprone SCHEMBL28363784 0.85 KDM4E (0.96) KDM4EKDM6AKDM4ACYP2C9CYP2C19
Deferiprone SCHEMBL692741 0.85 KDM4E (0.96) KDM4EKDM6AKDM4ACYP2C9CYP2C19
Deferiprone SCHEMBL28536949 0.83 KDM4E (0.76) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL31748399 0.71 KDM4E (0.57) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL9700190 0.70 KDM4E (0.56) KDM4EKDM6AKDM4ACYP2C9CYP2C19
Deferiprone SCHEMBL4951162 0.70 KDM4E (0.65) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL20382957 0.68 KDM4E (0.54) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL6995058 0.67 KDM4E (0.62) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111226839-B Method for breeding hypoxia-resistant hybrid pelteobagrus fulvidraco 中国水产科学研究院淡水渔业研究中心 2021-10-19 CN claimed
CN-111226839-A Method for breeding hypoxia-resistant hybrid pelteobagrus fulvidraco 中国水产科学研究院淡水渔业研究中心 2020-06-05 CN claimed
CN-111226839-B Method for breeding hypoxia-resistant hybrid pelteobagrus fulvidraco 中国水产科学研究院淡水渔业研究中心 2021-10-19 CN disclosed
CN-111226839-A Method for breeding hypoxia-resistant hybrid pelteobagrus fulvidraco 中国水产科学研究院淡水渔业研究中心 2020-06-05 CN disclosed