SCHEMBL9705142

SCHEMBL9705142

O=[N+]([O-])c1ccc2c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c5ccc([N+](=O)[O-])c1c25)c43

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
CES1 P23141 1/20 0.58
TDP1 Q9NUW8 5/20 0.48
CYP3A4 P08684 3/20 0.44
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.44
CTSB P07858 2/20 0.43
TSHR P16473 4/20 0.43
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
GPR35 Q9HC97 2/20 0.41
HIF1A Q16665 2/20 0.40
CYP1A2 P05177 1/20 0.40
HPRT1 P00492 1/20 0.39
CTSH P09668 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30090126 1.00 BCHE (0.58) BCHEACHECES1TDP1CYP3A4
SCHEMBL5958783 0.89 BCHE (0.68) BCHEACHECES1TDP1CYP3A4
SCHEMBL28088070 0.86 BCHE (0.65) BCHEACHECES1TDP1CYP3A4
Hydrochloric Acid SCHEMBL28070977 0.86 BCHE (0.65) BCHEACHECES1TDP1CYP3A4
SCHEMBL28477123 0.79 HPRT1 (0.48) TDP1CYP3A4HSD17B10ALDH1A1ALOX15
SCHEMBL7912372 0.78 TDP1 (0.67) TDP1CYP3A4HSD17B10ALDH1A1ALOX15
SCHEMBL1804954 0.75 TDP1 (0.50) BCHEACHECES1TDP1CYP3A4
SCHEMBL967910 0.75 TDP1 (0.50) BCHEACHECES1TDP1CYP3A4
SCHEMBL29450698 0.75 TDP1 (0.50) BCHEACHECES1TDP1CYP3A4
SCHEMBL28905228 0.73 S100A4 (0.50) TDP1CYP3A4HSD17B10ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117487541-A Coal-based carbon point for oilfield tracer and preparation method thereof 西安交通大学 2024-02-02 CN disclosed
WO-2023103537-A1 GSH-BASED FLUORESCENT NANOPROBE, AND SYNTHESIS METHOD THEREFOR AND USE THEREOF 广东省科学院微生物研究所(广东省微生物分析检测中心) 2023-06-15 WO disclosed
CN-115074125-B GSH-based fluorescent nanoprobe and synthesis method and application thereof 广东省科学院微生物研究所(广东省微生物分析检测中心) 2022-11-18 CN disclosed
CN-115074125-A GSH-based fluorescent nanoprobe and synthesis method and application thereof 广东省科学院微生物研究所(广东省微生物分析检测中心) 2022-09-20 CN disclosed
CN-111257967-A Oil field tracer and oil field tracing method 苏州星烁纳米科技有限公司 2020-06-09 CN disclosed
WO-1992010555-A1 FLUORESCENT COMPOUNDS FOR ABSORPTION AND RE-EMISSION OF RADIATION E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-25 WO disclosed
US-5095099-A Fluorescent compounds for absorption and re-emission of radiation E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-10 US disclosed