SCHEMBL29540314

SCHEMBL29540314

O=[N+]([O-])c1ccc2[nH]c3ccc([N+](=O)[O-])cc3c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.70
GABRG2 P18507 2/20 0.70
GABRB3 P28472 2/20 0.70
GABRA5 P31644 2/20 0.70
GABRA2 P47869 2/20 0.70
CTSV O60911 2/20 0.69
CTSL P07711 2/20 0.69
PARP1 P09874 2/20 0.69
CA12 O43570 2/20 0.68
CA9 Q16790 2/20 0.68
KIF11 P52732 1/20 0.66
MAPT P10636 6/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
LMNA P02545 3/20 0.60
ALDH1A1 P00352 2/20 0.60
POLB P06746 1/20 0.60
PKM P14618 1/20 0.60
NPY1R P25929 1/20 0.60
NPY2R P49146 1/20 0.60

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
SCHEMBL155013 1.00 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL30272741 0.91 CTSV (0.79) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL151534 0.91 CTSV (0.79) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL30272743 0.91 CTSV (0.79) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL30272742 0.91 CTSV (0.79) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL17396637 0.89 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL20920125 0.89 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL12722533 0.89 MAPT (0.59) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL30272747 0.89 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL1181214 0.85 CTSV (0.86) GABRA1GABRG2GABRB3GABRA5GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120005514-A High-resistant Wen Zengshui nanometer tectorial membrane protection material and preparation method thereof 重庆立道新材料科技有限公司 2025-05-16 CN claimed
CN-119569032-A Lithium battery negative electrode material for high temperature and high multiplying power and preparation method thereof 江苏量能动力科技有限公司 2025-03-07 CN claimed
CN-115109600-B Diamine compound and preparation method and application thereof 波米科技有限公司 2023-11-28 CN claimed
CN-115109600-A Diamine compound and preparation method and application thereof 波米科技有限公司 2022-09-27 CN claimed
CN-120005514-A High-resistant Wen Zengshui nanometer tectorial membrane protection material and preparation method thereof 重庆立道新材料科技有限公司 2025-05-16 CN disclosed
CN-119882120-A Polarizing plate complex and image display device 住友化学株式会社 2025-04-25 CN disclosed
CN-119569032-A Lithium battery negative electrode material for high temperature and high multiplying power and preparation method thereof 江苏量能动力科技有限公司 2025-03-07 CN disclosed
CN-118515971-B Fiber reinforced nylon material for heat insulation strips and preparation method thereof 佛山市南海易乐工程塑料有限公司 2024-09-17 CN disclosed
CN-118515971-A Fiber reinforced nylon material for heat insulation strips and preparation method thereof 佛山市南海易乐工程塑料有限公司 2024-08-20 CN disclosed
CN-115109600-B Diamine compound and preparation method and application thereof 波米科技有限公司 2023-11-28 CN disclosed
CN-116893465-A optical laminate 住友化学株式会社 2023-10-17 CN disclosed
CN-113135923-B Composition for cover layer of organic electroluminescent device and organic electroluminescent device comprising same 伊爱尔安株式会社 2023-09-12 CN disclosed
CN-110573240-B Selectively permeable graphene oxide membranes 日东电工株式会社 2022-11-22 CN disclosed
CN-115109600-A Diamine compound and preparation method and application thereof 波米科技有限公司 2022-09-27 CN disclosed
CN-109765651-B Composite retardation plate, optical laminate, and image display device 住友化学株式会社 2022-05-03 CN disclosed
CN-109765652-B Composite retardation plate, optical laminate, and image display device 住友化学株式会社 2022-03-25 CN disclosed