SCHEMBL9640554

SCHEMBL9640554

Nc1nc(N)c([N+](=O)[O-])c(N)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGMT P16455 8/20 0.49
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
MAPT P10636 2/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3955746 0.86 MGMT (0.44) MGMTCCNA2CDK2CCNA1MAPT
SCHEMBL9465187 0.84 PKM (0.44) MGMTCCNA2CDK2CCNA1MAPT
SCHEMBL27500630 0.84 MGMT (0.43) MGMTCCNA2CDK2CCNA1MAPT
SCHEMBL29484712 0.84 MGMT (0.43) MGMTCCNA2CDK2CCNA1MAPT
SCHEMBL27689385 0.81 MGMT (0.41) MGMTCCNA2CDK2CCNA1MAPT
SCHEMBL27930543 0.80 PKM (0.44) MGMTMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL257010 0.80 ALDH1A1 (0.38) MGMTCCNA2CDK2CCNA1MAPT
SCHEMBL28276642 0.79 MGMT (0.38) MGMTCCNA2CDK2CCNA1MAPT
SCHEMBL28877937 0.78 CCNA2 (0.48) MGMTCCNA2CDK2CCNA1ALDH1A1
SCHEMBL29974026 0.78 CCNA2 (0.48) MGMTCCNA2CDK2CCNA1ALDH1A1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118356812-A Ternary polymerization polyamide composite membrane and preparation method and application thereof 南京工业大学 2024-07-19 CN claimed
CN-113444048-B High-energy insensitive energetic compound and preparation method thereof 哈尔滨工业大学(深圳) 2022-03-18 CN claimed
CN-109354825-B High-temperature-resistant hot-melt benzoxazine resin and preparation method thereof BEIJING COMPOSITE MATERIAL Co.,Ltd. (CN) 2021-06-22 CN claimed
CN-109438366-A 2,4,6- triamido -5- nitro-pyrimidine -1,3- dioxide and perchloric acid the self assembly crystalline material containing energy 中国工程物理研究院化工材料研究所 2019-03-08 CN claimed
CN-109354825-A A kind of heat molten type benzoxazine resin resistant to high temperature and preparation method thereof 北京玻钢院复合材料有限公司 2019-02-19 CN claimed
CN-107935940-A The preparation method of 2,4,6 triamido of energy-containing compound, 5 nitro-pyrimidine, 1,3 dioxide 中国工程物理研究院化工材料研究所 2018-04-20 CN claimed
CN-107629055-A A kind of triamterene compound and preparation method thereof 湖北美林药业有限公司 2018-01-26 CN claimed
CN-118356812-A Ternary polymerization polyamide composite membrane and preparation method and application thereof 南京工业大学 2024-07-19 CN disclosed
CN-117946010-A Continuous synthesis method of 2,4, 6-triamino-5-nitropyrimidine 南京理工大学 2024-04-30 CN disclosed
CN-117946010-A Continuous synthesis method of 2,4, 6-triamino-5-nitropyrimidine 南京理工大学 2024-04-30 CN disclosed
CN-117946010-A Continuous synthesis method of 2,4, 6-triamino-5-nitropyrimidine 南京理工大学 2024-04-30 CN disclosed
CN-114409861-A Low-dielectric ablation-resistant benzoxazine resin and preparation method thereof 北京玻钢院复合材料有限公司 2022-04-29 CN disclosed
CN-114250480-A Reduction method of nitroso-nitro pyrimidine compound 成都化润药业有限公司 2022-03-29 CN disclosed
CN-108314597-A 2,4,6- triamido -5- nitro-pyrimidine -1,3- dioxide and nitric acid self-assembled crystal and preparation method thereof 中国工程物理研究院化工材料研究所 2018-07-24 CN disclosed
CN-107935940-A The preparation method of 2,4,6 triamido of energy-containing compound, 5 nitro-pyrimidine, 1,3 dioxide 中国工程物理研究院化工材料研究所 2018-04-20 CN disclosed
EP-0244360-B1 SUBSTITUTED PYRIMIDINES CIBA-GEIGY AG (CH) 1992-08-19 EP disclosed
US-4783468-A Insecticidal 5-pyrimidine carbonitriles CIBA-GEIGY CORPORATION (US) 1988-11-08 US disclosed
CN-87103168-A The pyrimidines that replaces 1987-12-16 CN disclosed
EP-0244360-A2 Substituted pyrimidines CIBA-GEIGY AG (CH) 1987-11-04 EP disclosed
US-4145548-A Method for the production of 5-nitroso-2,4,6-triaminopyrimidine HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1979-03-20 US disclosed