SCHEMBL30414747

SCHEMBL30414747

O=[N+]([O-])c1ccc(I)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.61
ALDH1A1 P00352 4/20 0.59
TSHR P16473 3/20 0.59
GPR35 Q9HC97 2/20 0.59
MAPK1 P28482 2/20 0.59
TP53 P04637 1/20 0.59
HPGD P15428 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HIF1A Q16665 1/20 0.59
TXNRD1 Q16881 1/20 0.57
TXNRD3 Q86VQ6 1/20 0.57
TXNRD2 Q9NNW7 1/20 0.57
PARP1 P09874 1/20 0.55
CYP1A2 P05177 1/20 0.49
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL3836830 1.00 TDP1 (0.61) TDP1ALDH1A1TSHRGPR35MAPK1
SCHEMBL2569715 0.83 GPR35 (0.59) TDP1ALDH1A1TSHRGPR35MAPK1
SCHEMBL3030993 0.82 LMNA (0.56) TDP1ALDH1A1TSHRGPR35MAPK1
SCHEMBL1665978 0.80 PARP1 (0.56) TDP1ALDH1A1TSHRGPR35MAPK1
SCHEMBL10638495 0.80 PTPRC (0.57) TDP1ALDH1A1TSHRGPR35MAPK1
SCHEMBL600206 0.79 TDP1 (0.68) TDP1ALDH1A1TSHRGPR35MAPK1
SCHEMBL29809877 0.79 TDP1 (0.68) TDP1ALDH1A1TSHRGPR35MAPK1
SCHEMBL8625237 0.79 PARP1 (0.64) TDP1ALDH1A1TSHRMAPK1PARP1
SCHEMBL5958796 0.77 TDP1 (0.65) TDP1ALDH1A1TSHRGPR35MAPK1
SCHEMBL5157523 0.77 MAPK1 (0.59) ALDH1A1TSHRMAPK1PARP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118179542-A Carbon-based catalyst, and preparation method and application thereof 中国石油化工股份有限公司 2024-06-14 CN claimed
CN-116735854-B Method for coupling 2, 4-dinitrophenol with antibody 之江实验室 2024-01-26 CN claimed
CN-116754760-B Method for coupling 2, 4-Dinitrophenol (DNP) with controlled cleavage of antibody 之江实验室 2024-01-26 CN claimed
CN-116754760-A Method for coupling 2, 4-Dinitrophenol (DNP) with controlled cleavage of antibody 之江实验室 2023-09-15 CN claimed
CN-116735854-A Method for coupling 2, 4-dinitrophenol with antibody 之江实验室 2023-09-12 CN claimed
CN-116120190-B Method for preparing o-nitroaniline compound and application of o-nitroaniline compound 邵阳学院 2024-08-23 CN disclosed
CN-118179542-A Carbon-based catalyst, and preparation method and application thereof 中国石油化工股份有限公司 2024-06-14 CN disclosed
CN-116735854-B Method for coupling 2, 4-dinitrophenol with antibody 之江实验室 2024-01-26 CN disclosed
CN-116735854-B Method for coupling 2, 4-dinitrophenol with antibody 之江实验室 2024-01-26 CN disclosed
CN-116754760-B Method for coupling 2, 4-Dinitrophenol (DNP) with controlled cleavage of antibody 之江实验室 2024-01-26 CN disclosed
CN-116754760-B Method for coupling 2, 4-Dinitrophenol (DNP) with controlled cleavage of antibody 之江实验室 2024-01-26 CN disclosed
CN-116754760-A Method for coupling 2, 4-Dinitrophenol (DNP) with controlled cleavage of antibody 之江实验室 2023-09-15 CN disclosed
CN-116754760-A Method for coupling 2, 4-Dinitrophenol (DNP) with controlled cleavage of antibody 之江实验室 2023-09-15 CN disclosed
CN-116735854-A Method for coupling 2, 4-dinitrophenol with antibody 之江实验室 2023-09-12 CN disclosed
CN-116735854-A Method for coupling 2, 4-dinitrophenol with antibody 之江实验室 2023-09-12 CN disclosed
CN-116715848-A Colorless polyimide film with high heat resistance and low birefringence, and preparation and application thereof 华南理工大学 2023-09-08 CN disclosed
CN-116120190-A Method for preparing o-nitroaniline compound and application of o-nitroaniline compound 邵阳学院 2023-05-16 CN disclosed