SCHEMBL96364

SCHEMBL96364

O=COCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
LMNA P02545 2/20 0.52
MAOB P27338 2/20 0.51
MAOA P21397 1/20 0.51
ALDH1A1 P00352 4/20 0.49
ALOX15 P16050 1/20 0.49
MAPT P10636 4/20 0.48
RXFP1 Q9HBX9 2/20 0.47
PKM P14618 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 1/20 0.47
F2 P00734 1/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL11955400 0.85 TSHR (0.56) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL5535841 0.84 TSHR (0.54) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL1767329 0.82 TSHR (0.65) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL7005138 0.82 CYP19A1 (0.45) TSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL1895864 0.81 TSHR (0.51) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL791926 0.81 TSHR (0.62) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL11394076 0.80 MAOB (0.39) MAOBMAOAF2
SCHEMBL5717162 0.79 TSHR (0.61) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL402251 0.79 IDO1 (0.62) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL9628070 0.79 TSHR (0.66) TSHRLMNAMAOBMAOAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116396296-A Preparation method of ertapenem 武汉瑞晟药业有限公司 2023-07-07 CN claimed
WO-2005016869-A1 NOVEL DENDRIMER COMPOUND, A BIOCHIP USING THE SAME AND A FABRICATING METHOD THEREOF POSTECH FOUNDATION (KR) 2005-02-24 WO claimed
CN-116396296-A Preparation method of ertapenem 武汉瑞晟药业有限公司 2023-07-07 CN disclosed
CN-103038706-B Polymerizable composition 富士胶片株式会社 2016-10-12 CN disclosed
CN-103339537-B Light-shielding composition, method for producing same, solder resist, and method for forming pattern FUJIFILM CORP. (JP) 2016-02-03 CN disclosed
CN-102893215-B Polymerizable composition FUJIFILM CORP. (JP) 2015-10-21 CN disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
CN-103339537-A Light-shielding composition, method for producing light-shielding composition, solder resist, method for forming pattern, and solid-state imaging element FUJI PHOTO FILM CO LTD 2013-10-02 CN disclosed
CN-103270435-A Photosensitive transparent composition for color filter of solid-state imaging element, method for producing color filter of solid-state imaging element using same, color filter of solid-state imaging element, and solid-state imaging element FUJI PHOTO FILM CO LTD 2013-08-28 CN disclosed
CN-103038706-A Polymerizable composition FUJIFILM CORP 2013-04-10 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-4933444-A Process for preparing 2β-substituted-methylpenicillin derivatives TAIHO PHARMACEUTICAL CO., LTD. (JP) 1990-06-12 US disclosed
US-4898939-A Process for preparing 2β-substituted-methylpenicillin derivatives TAIHO PHARMACEUTICAL CO., LTD. (JP) 1990-02-06 US disclosed
US-4891369-A BETA-LACTAMASE INHIBITORS TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1990-01-02 US disclosed
EP-0337819-A1 Thiazole derivatives, their preparation and their use in the treatment of diabetes complications Sankyo Company Limited (JP) 1989-10-18 EP disclosed
EP-0331394-A1 Process for preparing 2 beta-substituted-methylpenicillin derivatives TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1989-09-06 EP disclosed
EP-0273599-A1 Process for preparing 2beta-substituted-methyl-penicillin derivatives TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-07-06 EP disclosed
EP-0272016-A1 2beta-substituted-methylpenicillanic acid derivatives, and salts and esters thereof TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-06-22 EP disclosed
CN-86102877-A The method for preparing bicyclic pyrazolidinones 1986-10-29 CN disclosed
US-4259350-A PROTECTING DEGRADABLE ORGANIC MATERIAL FROM FUNGAL OR INSECT ATTACK SANKYO COMPANY LIMITED (JP) 1981-03-31 US disclosed