SCHEMBL348330

SCHEMBL348330

O=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.56
XDH P47989 1/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.48
VCAM1 P19320 2/20 0.46
CYP3A4 P08684 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.44
ERN1 O75460 2/20 0.44
NFE2L2 Q16236 1/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
FBP1 P09467 1/20 0.42
VCP P55072 1/20 0.42
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1548019 0.95 CYP19A1 (0.50) CYP19A1XDHTSHRLMNAVCAM1
SCHEMBL29955091 0.85 XDH (0.42) CYP19A1XDHTSHRVCAM1ALDH1A1
SCHEMBL15338592 0.85 LMNA (0.44) CYP19A1XDHTSHRLMNAVCAM1
SCHEMBL29950974 0.85 ALDH1A1 (0.47) CYP19A1XDHTSHRCYP3A4SMN1; SMN2
SCHEMBL2537590 0.85 ALDH1A1 (0.47) CYP19A1XDHTSHRVCAM1ALDH1A1
SCHEMBL29735399 0.85 ERN1 (0.43) CYP19A1XDHTSHRVCAM1CYP3A4
SCHEMBL29952610 0.85 TSHR (0.65) CYP19A1XDHTSHRLMNAVCAM1
SCHEMBL3048927 0.85 XDH (0.42) CYP19A1XDHTSHRVCAM1ALDH1A1
SCHEMBL3064197 0.85 TSHR (0.65) CYP19A1XDHTSHRLMNAVCAM1
SCHEMBL362715 0.85 ERN1 (0.43) CYP19A1XDHTSHRVCAM1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119912395-A Fluorescent probe for detecting formaldehyde and preparation method and application thereof 上海海关机电产品检测技术中心 2025-05-02 CN claimed
CN-119371374-A Green synthesis method of 2-amino-5-aryl-1, 3, 4-thiadiazole 陕西科技大学 2025-01-28 CN claimed
CN-118731220-A Method for separating and measuring 3-nitrobenzaldehyde and related impurities thereof by gas chromatography 重庆华邦制药有限公司 2024-10-01 CN claimed
WO-2024101298-A1 METHOD FOR PRODUCING MACROLIDE COMPOUND エーザイ・アール・アンド・ディー・マネジメント株式会社 2024-05-16 WO claimed
CN-117510916-B Preparation method of high-temperature-resistant modified polyethylene isolating film 沧州兆阳纸塑包装有限公司 2024-05-10 CN claimed
EP-3737947-B1 METHODS FOR MEASURING ANALYTE AND/OR PROTEIN IN BIOLOGICAL SAMPLES IDEXX LAB INC (US) 2024-04-17 EP claimed
CN-117510916-A Preparation method of high-temperature-resistant modified polyethylene isolating film 沧州兆阳纸塑包装有限公司 2024-02-06 CN claimed
CN-117362162-A Preparation method of carbonyl compound 中国科学院大连化学物理研究所 2024-01-09 CN claimed
CN-114746069-A Three-step multi-tone hair dyeing method 汉高股份有限及两合公司 2022-07-12 CN claimed
CN-111848710-A Preparation method of nicotinamide ribose and reduction state and salt thereof 深圳市迪克曼科技开发有限公司 2020-10-30 CN claimed
CN-1075635-A immunosuppressant ISHIHARA SANGYO KAISHA (JP) 1993-09-01 CN claimed
EP-0181831-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ACYLOXYAZETIDINONES CIBA-GEIGY AG (CH) 1993-08-25 EP claimed
EP-0553358-A1 PROCESS FOR PRODUCING 3-DPA-LACTONE Japan Tobacco Inc. (JP) 1993-08-04 EP claimed
US-5202447-A Stereospecific TORAY INDUSTRIES, INC. (JP) 1993-04-13 US claimed
EP-0206283-B1 OPTICALLY ACTIVE PYRIDOBENZOXAZINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-01-27 EP claimed
EP-0463162-A1 PREPARATION OF 5,6,7-TRINOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1992-01-02 EP claimed
EP-0181831-A2 Process for the preparation of optically active acyloxyazetidinones CIBA-GEIGY AG (CH) 1986-05-21 EP claimed
EP-0008599-B1 SURFACTANT AND PHENOLIC FOAM PRODUCED THEREWITH Celotex Corporation (US) 1983-12-14 EP claimed
EP-0075629-A1 Imidazole derivatives, their preparation, and their pharmaceutical compositions Sumitomo Chemical Industries Ltd. (JP) 1983-04-06 EP claimed
US-4097495-A Tetramethyl-benzyloxy chromans HOFFMANN-LA ROCHE INC. (US) 1978-06-27 US claimed