SCHEMBL28435013

SCHEMBL28435013

C#CCOc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl.[NaH]

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPOX P50336 16/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
NR1I2 O75469 1/20 0.64
PGK1 P00558 1/20 0.37

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
SCHEMBL39055 0.99 PPOX (0.65) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL29635318 0.99 PPOX (0.65) PPOXMEN1KMT2ATDP1NR1I2
Acetone SCHEMBL532802 0.95 PPOX (0.61) PPOXMEN1KMT2ATDP1NR1I2
Isopropylamine SCHEMBL19641800 0.94 PPOX (0.66) PPOXMEN1KMT2ATDP1NR1I2
Oxadiazon SCHEMBL4659772 0.92 PPOX (0.79) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL20425261 0.91 PPOX (0.57) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL14505698 0.90 PPOX (0.57) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL10437860 0.89 PPOX (0.53) PPOXMEN1KMT2ATDP1NR1I2
Oxadiargyl SCHEMBL29370865 0.88 PPOX (0.65) PPOXMEN1KMT2ATDP1NR1I2
Simazine SCHEMBL7579114 0.87 PPOX (0.52) PPOXMEN1KMT2ATDP1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112672998-B Co-crystal form A of oxaagolide and pyrimethamine, and preparation method and application thereof 深圳仁泰医药科技有限公司 2022-06-21 CN claimed
CN-112672998-A Co-crystal form A of oxaagolide and pyrimethamine, and preparation method and application thereof 深圳仁泰医药科技有限公司 2021-04-16 CN claimed
CN-115515592-A Methods of administering oxaagolide 艾伯维公司 2022-12-23 CN disclosed
CN-115177595-A Oxagolide sodium tablet and preparation method thereof 金陵药业股份有限公司 2022-10-14 CN disclosed
CN-112679442-B Preparation method of oxaagolide sodium 浙江乐普药业股份有限公司 2022-09-06 CN disclosed
CN-112672998-B Co-crystal form A of oxaagolide and pyrimethamine, and preparation method and application thereof 深圳仁泰医药科技有限公司 2022-06-21 CN disclosed
CN-113912552-A Preparation method of amorphous form of oxalagogri sodium 成都苑东生物制药股份有限公司 2022-01-11 CN disclosed
CN-112679442-A Preparation method of oxaagolide sodium 浙江乐普药业股份有限公司 2021-04-20 CN disclosed
CN-112672998-A Co-crystal form A of oxaagolide and pyrimethamine, and preparation method and application thereof 深圳仁泰医药科技有限公司 2021-04-16 CN disclosed
CN-111499581-A Oxagolide sodium impurity, preparation method and application thereof 上海博悦生物科技有限公司 2020-08-07 CN disclosed