SCHEMBL28210490

SCHEMBL28210490

Nc1c(N)c(C(=O)O)c(N)c(N)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 3/20 0.39
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
G6PD P11413 1/20 0.35
CASP7 P55210 1/20 0.35
CASP6 P55212 1/20 0.35
ACHE P22303 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DPP4 P27487 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
NOTUM Q6P988 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL28397803 0.92 CYP1A2 (0.40) CYP1A2KDM4EKMT2ACA12CA1
SCHEMBL7266193 0.89 CYP1A2 (0.38) CYP1A2KDM4EKMT2ACA12CA1
SCHEMBL7058324 0.85 CYP1A2 (0.40) CYP1A2KDM4EKMT2ACA12CA1
SCHEMBL2890289 0.78 KDM4E (0.39) CYP1A2KDM4EKMT2ACA12CA1
SCHEMBL28811110 0.78 DPP4 (0.36) CYP1A2KDM4EKMT2ACA12CA1
SCHEMBL32664989 0.78 KDM4E (0.39) CYP1A2KDM4EKMT2ACA12CA1
SCHEMBL1709593 0.76 KDM4E (0.50) CYP1A2KDM4EKMT2AG6PDCASP7
SCHEMBL28774768 0.76 ALDH1A1 (0.46) CYP1A2KDM4EKMT2ACA12CA1
SCHEMBL9787582 0.74 KDM4E (0.31) KDM4EKMT2A
Mellitic Acid SCHEMBL22971 0.74 CYP1A2 (0.50) CYP1A2KDM4EKMT2ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117079978-A Electrode foil, preparation method thereof and aluminum electrolytic capacitor 东莞东阳光科研发有限公司 2023-11-17 CN claimed
CN-116288418-A Preparation of carbon-based hydrophobic catalytic electrode material and application of carbon-based hydrophobic catalytic electrode material in carbon dioxide electrocatalysis 国家能源集团新能源技术研究院有限公司 2023-06-23 CN claimed
CN-108070089-B Preparation method of zirconium-based metal organic framework material rich in zirconium ions 中国科学院大连化学物理研究所 2021-03-19 CN claimed
CN-112007616-A High-efficiency separation C2H2/CH4Preparation method of sandwich-like heterostructure multi-amino functional group MOF 朱婷婷 2020-12-01 CN claimed
CN-105753891-B A kind of rare earth organic framework materials for trace water fluoroscopic examination and preparation method thereof 浙江大学 2018-04-20 CN claimed
CN-118440336-A Titanium-containing metal organic framework material and preparation method and application thereof 澳门大学 2024-08-06 CN disclosed
CN-117079978-A Electrode foil, preparation method thereof and aluminum electrolytic capacitor 东莞东阳光科研发有限公司 2023-11-17 CN disclosed
CN-116288418-A Preparation of carbon-based hydrophobic catalytic electrode material and application of carbon-based hydrophobic catalytic electrode material in carbon dioxide electrocatalysis 国家能源集团新能源技术研究院有限公司 2023-06-23 CN disclosed
CN-108070089-B Preparation method of zirconium-based metal organic framework material rich in zirconium ions 中国科学院大连化学物理研究所 2021-03-19 CN disclosed
CN-112007616-A High-efficiency separation C2H2/CH4Preparation method of sandwich-like heterostructure multi-amino functional group MOF 朱婷婷 2020-12-01 CN disclosed
CN-105753891-B A kind of rare earth organic framework materials for trace water fluoroscopic examination and preparation method thereof 浙江大学 2018-04-20 CN disclosed