SCHEMBL1552610

SCHEMBL1552610

Cc1c[n+]([O-])cc(C)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
TDP1 Q9NUW8 4/20 0.54
TSHR P16473 8/20 0.42
HSD17B10 Q99714 2/20 0.37
ACHE P22303 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 2/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8064966 0.90 ALDH1A1 (0.45) ALDH1A1TDP1TSHRHSD17B10ACHE
Sulfuric Acid Dimethyl Ester SCHEMBL7929336 0.87 ALDH1A1 (0.42) ALDH1A1TDP1TSHRCYP3A4
SCHEMBL31452870 0.86 ALDH1A1 (0.41) ALDH1A1TDP1TSHRHSD17B10CYP3A4
SCHEMBL18000467 0.86 ALDH1A1 (0.41) ALDH1A1TDP1TSHRHSD17B10SMN1; SMN2
SCHEMBL712674 0.74 ALDH1A1 (0.42) ALDH1A1TDP1TSHRHSD17B10ACHE
SCHEMBL29386003 0.74 ALDH1A1 (0.42) ALDH1A1TDP1TSHRHSD17B10ACHE
SCHEMBL27341023 0.73 ALDH1A1 (0.41) ALDH1A1TDP1TSHRHSD17B10CYP3A4
SCHEMBL10153228 0.71 ALDH1A1 (0.33) ALDH1A1TDP1TSHRCYP3A4GRIN2D
SCHEMBL191847 0.71 ALDH1A1 (0.39) ALDH1A1TDP1TSHRHSD17B10SMN1; SMN2
SCHEMBL2113357 0.71 ALDH1A1 (0.39) ALDH1A1TDP1TSHRHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117582905-A Microchannel reaction device and method for continuously synthesizing 3, 5-dimethyl-4-nitropyridine-N-oxide 南京红太阳医药研究院有限公司 2024-02-23 CN claimed
CN-111303018-A Synthetic method of omeprazole intermediate 浙江华洲药业有限公司 2020-06-19 CN claimed
CN-104557693-A Synthesis method of 3,5-dimethyl-4-nitropyridine-N-oxide JIANGSU ZHONGBANG PHARMACEUTICAL CO LTD 2015-04-29 CN claimed
CN-101648911-B Purifying method of 4-nitro-3,5-dimethylpyridine-N-oxide NANJING FIRST PESTICIDE GROUP CO LTD 2011-04-06 CN claimed
CN-101648911-A Purifying method of 4-nitro-3,5-dimethylpyridine-N-oxide NANJING NO 1 PESTICIDE GROUP C 2010-02-17 CN claimed
EP-0397474-B1 Photosensitive composition TOSHIBA KK (JP) 1997-12-10 EP claimed
US-5177205-A Electrooptics L'ETAT FRANCAIS REPRESENTE PAR LE MINISTRE DES POSTES, DES TELECOMMUNICATIONS ET DE L'ESPACE (CENTRE NATIONAL D'ETUDES DES TELECOMMUNICATIONS) (FR) 1993-01-05 US claimed
US-5100768-A Photoresists for integrated circuits, polyvinyl phenol and nitrogen containing heterocycle KABUSHIKI KAISHA TOSHIBA (JP) 1992-03-31 US claimed
EP-0397474-A2 Photosensitive composition KABUSHIKI KAISHA TOSHIBA (JP) 1990-11-14 EP claimed
EP-0031281-B1 USE OF 3-METHYL-4-NITROPYRIDINE-1-OXIDE AND 3,5-DIMETHYL-4-NITROPYRIDINE-1-OXIDE CRYSTALS FOR NON LINEAR OPTICS Chemla, Daniel (FR) 1984-07-04 EP claimed
US-4376899-A 3-, 5- OR 3,5-DI METHYL-4-NITRO-PYRIDINE-1-OXIDE CHEMLA DAHIEL (FR) 1983-03-15 US claimed
JP-3215472-A None JP disclosed
CN-117582905-A Microchannel reaction device and method for continuously synthesizing 3, 5-dimethyl-4-nitropyridine-N-oxide 南京红太阳医药研究院有限公司 2024-02-23 CN disclosed
CN-117582905-A Microchannel reaction device and method for continuously synthesizing 3, 5-dimethyl-4-nitropyridine-N-oxide 南京红太阳医药研究院有限公司 2024-02-23 CN disclosed
CN-117582905-A Microchannel reaction device and method for continuously synthesizing 3, 5-dimethyl-4-nitropyridine-N-oxide 南京红太阳医药研究院有限公司 2024-02-23 CN disclosed
EP-0031282-B1 MOLECULAR CRYSTALS OF NITROPYRIDINE-N-OXIDE DERIVATIVES SUBSTITUTED BY A CHIRAL RADICAL Chemla, Daniel (FR) 1984-05-16 EP disclosed
US-4376899-A 3-, 5- OR 3,5-DI METHYL-4-NITRO-PYRIDINE-1-OXIDE CHEMLA DAHIEL (FR) 1983-03-15 US disclosed
EP-0031282-A2 Molecular crystals of nitropyridine-N-oxide derivatives substituted by a chiral radical Chemla, Daniel (FR) 1981-07-01 EP disclosed
EP-0031281-A1 Use of 3-Methyl-4-nitropyridine-1-oxide and 3,5-dimethyl-4-nitropyridine-1-oxide crystals for non linear optics Chemla, Daniel (FR) 1981-07-01 EP disclosed
EP-0031281-A1 Use of 3-Methyl-4-nitropyridine-1-oxide and 3,5-dimethyl-4-nitropyridine-1-oxide crystals for non linear optics Chemla, Daniel (FR) 1981-07-01 EP disclosed