SCHEMBL635130

SCHEMBL635130

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

nearest known ligand 0.90

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.90
CYP19A1 P11511 1/20 0.62
ACHE P22303 2/20 0.60
HSD17B10 Q99714 1/20 0.56
LMNA P02545 2/20 0.52
ALDH1A1 P00352 4/20 0.50
HTT P42858 3/20 0.50
GPR35 Q9HC97 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
VCAM1 P19320 1/20 0.50
CYP3A4 P08684 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.46
GALR3 O60755 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL1097495 0.94 TSHR (1.00) TSHRCYP19A1ACHEHSD17B10LMNA
SCHEMBL212845 0.85 CYP19A1 (0.81) TSHRCYP19A1HSD17B10LMNAALDH1A1
SCHEMBL2381051 0.84 TSHR (0.71) TSHRCYP19A1ACHEHSD17B10LMNA
SCHEMBL3844920 0.84 TSHR (0.71) TSHRCYP19A1ACHEHSD17B10LMNA
SCHEMBL5201173 0.84 TSHR (0.71) TSHRCYP19A1ACHEHSD17B10LMNA
SCHEMBL29277770 0.84 TSHR (0.71) TSHRCYP19A1ACHEHSD17B10LMNA
SCHEMBL16959208 0.84 TSHR (0.71) TSHRCYP19A1ACHEHSD17B10LMNA
SCHEMBL1396 0.84 TSHR (0.78) TSHRCYP19A1ACHEHSD17B10ALDH1A1
SCHEMBL5289451 0.84 TSHR (0.71) TSHRCYP19A1ACHEHSD17B10LMNA
SCHEMBL31055057 0.84 TSHR (0.71) TSHRCYP19A1ACHEHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119715865-A Method for measuring target organic matters in waste acid 四川北方红光特种化工有限公司 2025-03-28 CN claimed
CN-117741003-A Method for measuring 6 nitrobenzene compounds in cosmetics by ultra-high performance liquid chromatography-quadrupole-time-of-flight mass spectrometry 广西壮族自治区食品药品检验所 2024-03-22 CN claimed
CN-114988972-B Method for reducing mechanical and electrostatic sensitivity of explosive by coating nano carbon material 西南科技大学 2023-09-29 CN claimed
CN-116283452-A Method for preparing explosive/HNS core-shell structure spherical compound based on pickering emulsion method 西南科技大学 2023-06-23 CN claimed
CN-113683538-B Preparation technology of bisphenol S with low cost and environmental protection 江阴长盛化工有限公司 2023-06-23 CN claimed
CN-116130880-A Lithium battery composite diaphragm and production process thereof 昆明链芯智数科技有限公司 2023-05-16 CN claimed
CN-116046931-A Method for determining mass fraction of nitrotoluene in waste acid by gas chromatography 四川北方红光特种化工有限公司 2023-05-02 CN claimed
CN-114988972-A Method for reducing mechanical and electrostatic sensitivity of explosive by coating with nano carbon material 西南科技大学 2022-09-02 CN claimed
CN-114956922-A Preparation method of low-sensitivity core-shell structure micro-nano explosive composite material 南京理工大学 2022-08-30 CN claimed
CN-113683538-A Low-cost and environment-friendly bisphenol S preparation process 江阴长盛化工有限公司 2021-11-23 CN claimed
CN-110713454-A Nitro-substituted indole compound and preparation method thereof 南京工业大学 2020-01-21 CN claimed
CN-109721617-A A kind of preparation method of Tazobactam Sodium 齐鲁天和惠世(乐陵)制药有限公司 2019-05-07 CN claimed
US-20160288106-A1 CADMIUM SULFIDE QUANTUM DOTS UNITED STATES DEPARTMENT OF ENERGY 2016-10-06 US claimed
WO-2016153989-A1 CADMIUM SULFIDE QUANTUM DOTS NORTHWESTERN UNIVERSITY (US) 2016-09-29 WO claimed
US-7732534-B2 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2010-06-08 US claimed
US-20080051552-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION 2008-02-28 US claimed
US-20080051519-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2008-02-28 US claimed
EP-0987251-B1 4-carboxyamino-2-methyl-1,2,3,4-tetrahydroquinolines as CETP inhibitors PFIZER PROD INC (US) 2004-05-19 EP claimed
US-6140342-A CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITOR; USED TO ELEVATE CERTAIN PLASMA LIPID LEVELS, INCLUDING HIGH DENSITY LIPOPROTEIN-CHOLESTEROL AND TO LOWER CERTAIN OTHER PLASMA LIPID LEVELS, SUCH AS LDL-CHOLESTEROL AND TRIGLYCERIDES PFIZER INC. (US) 2000-10-31 US claimed
EP-0987251-A1 4-carboxyamino-2-methyl-1,2,3,4-tetrahydroquinolines as CETP inhibitors Pfizer Products Inc. (US) 2000-03-22 EP claimed