SCHEMBL28516295

SCHEMBL28516295

NS(=O)(=O)C(=O)c1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.57
NR4A2 P43354 1/20 0.57
NR4A3 Q92570 1/20 0.57
MMP3 P08254 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
PTPN1 P18031 1/20 0.50
CDC25B P30305 1/20 0.50
PLK1 P53350 1/20 0.50
KMT2A Q03164 4/20 0.47
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
PKM P14618 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL6253006 0.84 NR4A1 (0.61) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL28589368 0.82 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL27518457 0.81 NR4A1 (0.57) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL27360130 0.81 NR4A1 (0.57) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL2501128 0.79 NR4A1 (0.55) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL9415837 0.78 NR4A1 (0.53) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL7734634 0.77 KMT2A (0.55) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL29381201 0.75 KDM4E (0.68) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL43084 0.75 KDM4E (0.68) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL244802 0.74 CDC25B (0.80) NR4A1NR4A2NR4A3MMP3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118159569-A Use of apoptosis inhibitor 5 (API 5) for epithelial remodeling 纽约大学 2024-06-07 CN claimed
CN-115989042-A Copper-containing theranostic compounds and methods of use 康奈尔大学 2023-04-18 CN claimed
CN-119072485-A Conjugates, compositions and methods for hydroxyapatite targeted imaging and therapy 普渡研究基金会 2024-12-03 CN disclosed
CN-118159569-A Use of apoptosis inhibitor 5 (API 5) for epithelial remodeling 纽约大学 2024-06-07 CN disclosed
CN-115989042-A Copper-containing theranostic compounds and methods of use 康奈尔大学 2023-04-18 CN disclosed
CN-115243704-A Treatment of liver and cardiovascular disorders 生命搜索 2022-10-25 CN disclosed
CN-113710246-A HSP90 binding conjugates and formulations thereof 塔弗达治疗有限公司 2021-11-26 CN disclosed
CN-113056288-A Macrocyclic complexes of radionuclides and their use in radiotherapy of cancer 康奈尔大学 2021-06-29 CN disclosed
CN-112074288-A HSP 90-targeting conjugates and formulations thereof 塔弗达治疗有限公司 2020-12-11 CN disclosed