SCHEMBL28848233

SCHEMBL28848233

Cn1nc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 4/20 0.36
LMNA P02545 4/20 0.36
HTT P42858 3/20 0.36
PKM P14618 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MITF O75030 1/20 0.34
ALPL P05186 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL8280386 0.78 MAPT (0.46) ALDH1A1L3MBTL1ATMKDM4EMAPT
SCHEMBL2458220 0.78 PKM (0.44) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL7780473 0.76 PKM (0.43) ALDH1A1L3MBTL1ATMKDM4EMAPT
SCHEMBL7778311 0.76 PKM (0.35) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL7778351 0.73 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL17023410 0.72 LMNA (0.37) ALDH1A1L3MBTL1ATMKDM4EMAPT
SCHEMBL29091847 0.72 L3MBTL1 (0.34) ALDH1A1L3MBTL1ATMKDM4EKMT2A
SCHEMBL29091846 0.71 L3MBTL1 (0.50) ALDH1A1L3MBTL1ATMMAPTLMNA
SCHEMBL31612239 0.69 PKM (0.35) ALDH1A1KDM4EMAPTHTTPKM
SCHEMBL31612235 0.69 PKM (0.35) ALDH1A1KDM4EMAPTHTTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115124471-A Pyrazole ring explosive with high-energy and low-melting-point characteristics and synthesis method thereof 中国工程物理研究院化工材料研究所 2022-09-30 CN claimed
CN-120118035-A Synthesis method of 1-methyl-3, 4, 5-trinitropyrazole 西南科技大学 2025-06-10 CN disclosed
CN-119684296-A Gem dinitroimidazole cyclonitrate imitation salt and preparation method thereof 南京理工大学 2025-03-25 CN disclosed
CN-115124471-B Pyrazole ring explosive with high energy and low melting point characteristics and synthesis method thereof 中国工程物理研究院化工材料研究所 2024-02-13 CN disclosed
CN-115124471-A Pyrazole ring explosive with high-energy and low-melting-point characteristics and synthesis method thereof 中国工程物理研究院化工材料研究所 2022-09-30 CN disclosed