SCHEMBL30458055

SCHEMBL30458055

Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
CYP3A4 P08684 2/20 0.60
MAPT P10636 7/20 0.59
TDP1 Q9NUW8 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TSHR P16473 3/20 0.57
LMNA P02545 1/20 0.57
PDE7A Q13946 1/20 0.53
POLB P06746 2/20 0.52
ALOX15 P16050 1/20 0.52
MCL1 Q07820 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK1 P28482 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
SCHEMBL1193334 1.00 ALDH1A1 (0.60) ALDH1A1CYP3A4MAPTTDP1MEN1
SCHEMBL838256 0.91 ALDH1A1 (0.71) ALDH1A1CYP3A4MAPTTDP1MEN1
SCHEMBL11548194 0.89 ALDH1A1 (0.63) ALDH1A1CYP3A4MAPTTDP1MEN1
SCHEMBL4090172 0.89 ALDH1A1 (0.58) ALDH1A1CYP3A4MAPTTDP1MEN1
SCHEMBL8406658 0.89 MAPT (0.57) ALDH1A1CYP3A4MAPTTDP1MEN1
SCHEMBL30606309 0.89 ALDH1A1 (0.58) ALDH1A1CYP3A4MAPTTDP1MEN1
SCHEMBL9069658 0.87 ALDH1A1 (0.56) ALDH1A1CYP3A4MAPTTDP1MEN1
SCHEMBL1725673 0.84 ALDH1A1 (0.69) ALDH1A1CYP3A4MAPTTDP1MEN1
SCHEMBL23000479 0.84 MAPT (0.53) ALDH1A1CYP3A4MAPTTDP1MEN1
SCHEMBL1799181 0.84 ALDH1A1 (0.53) ALDH1A1CYP3A4MAPTTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120158100-A Preparation method of high-temperature-resistant corrosion-resistant alloy rubber 上海焦能新材料有限公司 2025-06-17 CN claimed
CN-119707773-A Preparation method and application of maleimide structure-containing compound 中国农业大学 2025-03-28 CN claimed
CN-117986663-A High-temperature-resistant corrosion-resistant alloy rubber and preparation method thereof 上海焦能新材料有限公司 2024-05-07 CN claimed
CN-120004808-B Preparation method of 2-bromo-5, 6-dichloro-1H-benzimidazole 宜昌人福药业有限责任公司 2025-11-25 CN disclosed
CN-120158100-A Preparation method of high-temperature-resistant corrosion-resistant alloy rubber 上海焦能新材料有限公司 2025-06-17 CN disclosed
CN-120158100-A Preparation method of high-temperature-resistant corrosion-resistant alloy rubber 上海焦能新材料有限公司 2025-06-17 CN disclosed
WO-2025110815-A1 IMIDAZO [1,2-B] PYRIDAZINE-BASED NOVEL COMPOUND AS CDK INHIBITOR AND USE THEREOF 아이리드비엠에스 주식회사 2025-05-30 WO disclosed
CN-120004808-A Preparation method of 2-bromo-5, 6-dichloro-1H-benzimidazole 宜昌人福药业有限责任公司 2025-05-16 CN disclosed
CN-120004808-A Preparation method of 2-bromo-5, 6-dichloro-1H-benzimidazole 宜昌人福药业有限责任公司 2025-05-16 CN disclosed
CN-119707773-A Preparation method and application of maleimide structure-containing compound 中国农业大学 2025-03-28 CN disclosed
CN-119101661-A Hybridoma cell strain secreting chlornitramine monoclonal antibody and application thereof 江南大学 2024-12-10 CN disclosed
CN-117986663-A High-temperature-resistant corrosion-resistant alloy rubber and preparation method thereof 上海焦能新材料有限公司 2024-05-07 CN disclosed
CN-117986663-A High-temperature-resistant corrosion-resistant alloy rubber and preparation method thereof 上海焦能新材料有限公司 2024-05-07 CN disclosed
CN-117820127-A Preparation method of aromatic amine compound 清源创新实验室 2024-04-05 CN disclosed
CN-116444376-B Production process of 3, 5-dichloronitrobenzene 德兴市德邦化工有限公司 2024-01-26 CN disclosed
CN-117120424-A Pyrimidine derivatives having protein kinase inhibitory activity and therapeutic combinations comprising the same 泰拉佩克斯有限公司 2023-11-24 CN disclosed
CN-115677772-B Compound and composition for EGFR kinase inhibitor and application thereof 浙江大学智能创新药物研究院 2023-08-18 CN disclosed
CN-116444376-A Production process of 3, 5-dichloronitrobenzene 德兴市德邦化工有限公司 2023-07-18 CN disclosed
CN-116444494-A Compound for targeted degradation of BUB1B and BUB1 protein, and preparation method and application thereof 浙江大学 2023-07-18 CN disclosed