SCHEMBL57152

SCHEMBL57152

N#Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.64
TSHR P16473 3/20 0.61
LMNA P02545 1/20 0.61
FBP1 P09467 3/20 0.53
ALDH1A1 P00352 4/20 0.52
ACHE P22303 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALOX15 P16050 1/20 0.52
HSP90AA1 P07900 2/20 0.51
HTT P42858 2/20 0.51
S1PR2 O95136 1/20 0.51
MAPT P10636 1/20 0.51
OPRK1 P41145 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KCNJ1 P48048 1/20 0.50
KCNH2 Q12809 1/20 0.50
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48

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
SCHEMBL29913891 1.00 VCAM1 (0.64) VCAM1TSHRLMNAFBP1ALDH1A1
Hydrochloric Acid SCHEMBL6614587 0.98 VCAM1 (0.62) VCAM1TSHRLMNAFBP1ALDH1A1
Methane SCHEMBL28137585 0.98 VCAM1 (0.62) VCAM1TSHRLMNAFBP1ALDH1A1
Nitrobenzene SCHEMBL28228444 0.94 VCAM1 (0.58) VCAM1TSHRLMNAFBP1ALDH1A1
SCHEMBL28273949 0.93 VCAM1 (0.56) VCAM1TSHRLMNAFBP1ALDH1A1
Sulfuric Acid SCHEMBL9624363 0.90 VCAM1 (0.53) VCAM1TSHRLMNAFBP1ALDH1A1
Acetic Acid SCHEMBL28477075 0.90 ALDH1A1 (0.55) VCAM1TSHRLMNAFBP1ALDH1A1
SCHEMBL6435365 0.89 TSHR (0.53) VCAM1TSHRLMNAFBP1ALDH1A1
Dinitrophenylene SCHEMBL27546949 0.89 TSHR (0.63) VCAM1TSHRLMNAFBP1ALDH1A1
SCHEMBL7426076 0.85 LTA4H (0.49) VCAM1TSHRLMNAFBP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12340996-B2 Method for rapid on-site detection of fentanyl analogs using a miniature mass spectrometer CHINESE ACADEMY OF INSPECTION AND QUARANTINE (CN) 2025-06-24 US claimed
CN-116283659-B Preparation method and application of m-nitrobenzonitrile 上海忝晴化工有限公司 2025-04-25 CN claimed
CN-116813478-B Method for heterogeneous catalysis of nitroarene reduction by using ultraviolet light driven molybdenum diselenide nano carbon material 湖南大学 2025-04-22 CN claimed
CN-119368220-B Pt-doped molybdenum-based catalyst and preparation method and application thereof 洛阳理工学院 2025-04-22 CN claimed
CN-119654312-A Substituted tetrazolyl compounds useful as T cell activators 百时美施贵宝公司 2025-03-18 CN claimed
CN-119368220-A Pt-doped molybdenum-based catalyst and preparation method and application thereof 洛阳理工学院 2025-01-28 CN claimed
US-20240219401-A1 METHOD FOR DETERMINING AT LEAST ONE ANALYTE OF INTEREST ROCHE DIAGNOSTICS OPERATIONS, INC. 2024-07-04 US claimed
CN-117957447-A Method for determining at least one analyte of interest 豪夫迈·罗氏有限公司 2024-04-30 CN claimed
CN-117790893-A Electrolyte and lithium battery containing same 蜂巢能源科技股份有限公司 2024-03-29 CN claimed
CN-114456087-B Method for preparing m-nitrobenzonitrile by utilizing microchannel reactor 廊坊市北辰创业树脂材料股份有限公司 2023-12-22 CN claimed
CN-1784387-A Novel benzimidazole derivatives ASTRAZENECA AB (SE) 2006-06-07 CN claimed
WO-2005103010-A2 PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2005-11-03 WO claimed
CN-1630637-A Novel arylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2005-06-22 CN claimed
EP-1358295-A1 TRIBOLUMINESCENT MATERIALS IN ADHESIVE COMPOSITIONS FOR USE IN ADHESIVE TAPE Qinetiq Limited (GB) 2003-11-05 EP claimed
WO-2002062914-A9 TRIBOLUMINESCENT MATERIALS IN ADHESIVE COMPOSITIONS FOR USE IN ADHESIVE TAPE QINETIQ LTD (GB) 2003-05-15 WO claimed
WO-2002062915-A1 PAPER PRODUCTS CONTAINING TRIBOLUMINESCENT MATERIALS QINETIQ LIMITED (GB) 2002-08-15 WO claimed
WO-2002062914-A1 TRIBOLUMINESCENT MATERIALS IN ADHESIVE COMPOSITIONS FOR USE IN ADHESIVE TAPE QINETIQ LIMITED (GB) 2002-08-15 WO claimed
US-4521345-A Aromatic coupling process ETHYL CORPORATION (US) 1985-06-04 US claimed
US-4470930-A Preparation of nuclear chlorinated aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1984-09-11 US claimed
US-4343871-A GROUP IA METAL ANODE AND CATHODE FORMED OF ORGANIC COMPOUND HAVINGPI-ELECTRON CONJUGATED SYSTEM NIPPON TELEGRAPH & TELEPHONE PUBLIC CORPORATION (JP) 1982-08-10 US claimed