SCHEMBL458041

SCHEMBL458041

CCc1[c]ccc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 2/20 0.42
TSHR P16473 6/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
ACHE P22303 2/20 0.40
CYP3A4 P08684 2/20 0.39
MAPT P10636 3/20 0.38
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTPRC P08575 1/20 0.36
S100A4 P26447 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
SCHEMBL231178 0.86 KDM4E (0.42) POLBHTTCYP1A2TSHRLMNA
SCHEMBL11286333 0.85 TSHR (0.45) CYP1A2TSHRLMNAALDH1A1TDP1
SCHEMBL7831019 0.82 KCNH2 (0.43) CYP1A2ALDH1A1TDP1MAPT
SCHEMBL6377117 0.81 TSHR (0.49) CYP1A2TSHRLMNAALDH1A1TDP1
SCHEMBL7304803 0.81 TSHR (0.42) CYP1A2TSHRLMNAALDH1A1TDP1
SCHEMBL7940300 0.81 TSHR (0.42) CYP1A2TSHRLMNAALDH1A1TDP1
SCHEMBL5585098 0.81 LOXL2 (0.46) HTTTSHRLMNAALDH1A1TDP1
SCHEMBL11742163 0.81 HTT (0.40) HTTCYP1A2TSHRLMNAALDH1A1
SCHEMBL8182516 0.80 KMT2A (0.38) HTTCYP1A2TSHRLMNAALDH1A1
SCHEMBL27867566 0.80 ALDH1A1 (0.39) POLBHTTCYP1A2TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3259230-A None JP disclosed
CN-108778730-B Friable shell microcapsules, methods of making and methods of using the same ISP投资有限公司 2021-02-09 CN disclosed
WO-2020168290-A1 N-ARYL BENZENESULFONAMIDES FOR USE IN TREATING CANCERS, BACTERIAL DISEASES, METABOLIC DISEASES, AND TRAUMATIC BRAIN INJURY UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2020-08-20 WO disclosed
CN-110612119-A Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents 西雅图儿童医院(DBA西雅图儿童研究所) 2019-12-24 CN disclosed
US-20190054440-A1 FRIABLE SHELL MICROCAPSULES, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP INVESTMENTS LLC (US) 2019-02-21 US disclosed
EP-3402674-A1 FRIABLE SHELL MICROCAPSULES, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP Investments LLC (US) 2018-11-21 EP disclosed
CN-108778730-A Frangible shell microcapsules, preparation method and its application method ISP投资有限公司 2018-11-09 CN disclosed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed
CN-1369201-A Solid pesticide compsns., its mfg. method and its spreading method KUMIAI CHEMICAL INCUSTRY CO LT (JP) 2002-09-18 CN disclosed
CN-1353932-A Pesticide composition, method for producing the same, and method for spraying the same KUMIAI CHEMICAL INDUSTRY CO (JP) 2002-06-19 CN disclosed
CN-1337955-A Substituted 2-arylimino heterocycles and compositions containing them, for use as progesterone receptor binding agents AMERICAN BAYER CORP (US) 2002-02-27 CN disclosed
EP-1153014-A2 BETA-ALANINE DERIVATIVES MERCK PATENT GmbH (DE) 2001-11-14 EP disclosed
CN-1317238-A Pesticide composition for paddy field, its production method and its spreading method KUMIAI CHEMICAL INDUSTRY CO (JP) 2001-10-17 CN disclosed
WO-2000048996-A2 β-ALANINE DERIVATIVES MERCK PATENT GMBH (DE) 2000-08-24 WO disclosed
US-5186868-A Reacting alkali metal alkyl with tritium gas in presence of tertiary alkylamine, reacting alkali metal tritide with aluminum halide, using alkali metal aluminum tritide to reduce organic compound and introduce tritium THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-02-16 US disclosed
JP-H03259230-A LIGHT WAVELENGTH CONVERSION MODULE FUJI PHOTO FILM CO LTD 1991-11-19 JP disclosed
EP-0017738-B1 AN INSECTICIDAL AND MITICIDAL COMPOSITION WHICH CONTAINS A CARBAMATE AND AN ORGANIC PHOSPHORUS COMPOUND, AND A METHOD OF CONTROLLING INSECTS AND MITES THEREWITH IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-08-08 EP disclosed
US-4069320-A Substituted diphenyl-3-formazancarbonitrile insecticides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-01-17 US disclosed