SCHEMBL4076110

SCHEMBL4076110

[O]c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
GPR35 Q9HC97 5/20 0.56
TDP1 Q9NUW8 3/20 0.56
HPGD P15428 2/20 0.56
MAPK1 P28482 2/20 0.56
HIF1A Q16665 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
TTR P02766 1/20 0.56
CYP1A2 P05177 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX15 P16050 1/20 0.56
ALOX12 P18054 1/20 0.56
RECQL P46063 1/20 0.56
PMP22 Q01453 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CYP3A4 P08684 1/20 0.54
CYP19A1 P11511 1/20 0.52

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
SCHEMBL2822069 0.81 ALDH1A1 (0.58) ALDH1A1GPR35TDP1HPGDMAPK1
SCHEMBL8686866 0.79 ALDH1A1 (0.56) ALDH1A1GPR35TDP1HPGDMAPK1
Trinitrophenol SCHEMBL11746242 0.77 ALDH1A1 (0.55) ALDH1A1GPR35TDP1HPGDMAPK1
Trinitrotoluene SCHEMBL20676 0.77 ALDH1A1 (0.61) ALDH1A1GPR35TDP1HPGDMAPK1
Trinitrophenol SCHEMBL1503374 0.77 ALDH1A1 (0.55) ALDH1A1GPR35TDP1HPGDMAPK1
Trinitrophenol SCHEMBL11029128 0.77 ALDH1A1 (0.55) ALDH1A1GPR35TDP1HPGDMAPK1
SCHEMBL213849 0.77 ALDH1A1 (0.62) ALDH1A1GPR35TDP1HPGDMAPK1
Trinitrophenol SCHEMBL2218621 0.77 ALDH1A1 (0.55) ALDH1A1GPR35TDP1HPGDMAPK1
Trinitrophenol SCHEMBL597737 0.77 ALDH1A1 (0.55) ALDH1A1GPR35TDP1HPGDMAPK1
Trinitrotoluene SCHEMBL891182 0.77 ALDH1A1 (0.61) ALDH1A1GPR35TDP1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117903149-A Metalloporphyrin complex and application thereof in catalytic preparation of polyether 烟台大学 2024-04-19 CN claimed
CN-117843649-A Difunctional multi-center metalloporphyrin complex and application thereof in preparation of polycarbonate 烟台大学 2024-04-09 CN claimed
CN-115779962-B Bi-component organic catalytic system composed of hydrogen bond donor-nucleophilic bifunctional reagent and organoboron reagent and application thereof 浙江大学 2024-04-05 CN claimed
CN-117186433-A Polyether-b-polyacrylate block copolymer and preparation method thereof 大连理工大学 2023-12-08 CN claimed
CN-117106166-A Application of multi-center metalloporphyrin complex based on cyclophosphazene skeleton 中国科学院长春应用化学研究所 2023-11-24 CN claimed
CN-115073723-B Separable catalyst and preparation method of low-molecular-weight narrow-distribution colorless poly (carbonate-ether) polyol 中国科学院长春应用化学研究所 2023-10-13 CN claimed
CN-114891194-B Double-functional polymer catalyst for synthesizing polyester and application thereof 中国科学院长春应用化学研究所 2023-08-29 CN claimed
CN-116496479-A Synthesis method of olefin functionalized polyester-polyether copolymer 上海交通大学 2023-07-28 CN claimed
CN-116273189-A Double-component supported catalyst, preparation method and application thereof 中国科学院长春应用化学研究所 2023-06-23 CN claimed
CN-116284780-A Ion salt catalyst and method for preparing polysulfite by using same 大连理工大学 2023-06-23 CN claimed
CN-111454434-B Metalloporphyrin complex, preparation method thereof and preparation method of polycarbonate 中国科学院长春应用化学研究所 2023-06-20 CN claimed
CN-116053575-A Carbon dioxide-based terpolymer electrolyte and preparation method and application thereof 中国科学院长春应用化学研究所 2023-05-02 CN claimed
CN-111454433-B Bifunctional oligomeric metalloporphyrin complex, preparation method thereof and preparation method of polycarbonate 中国科学院长春应用化学研究所 2022-03-29 CN claimed
CN-111471134-B Active hydrogen tolerant catalyst, preparation method thereof and ultra-low molecular weight poly (carbonate-ether) polyol 中国科学院长春应用化学研究所 2021-09-21 CN claimed
CN-111454433-A Bifunctional oligomeric metalloporphyrin complex, preparation method thereof and preparation method of polycarbonate 中国科学院长春应用化学研究所 2020-07-28 CN claimed
CN-111454434-A Metalloporphyrin complex, preparation method thereof and preparation method of polycarbonate 中国科学院长春应用化学研究所 2020-07-28 CN claimed
CN-111286011-A Carbon dioxide-based polycarbonate polyester copolymer and preparation method thereof 武汉理工大学 2020-06-16 CN claimed
CN-115838453-B Polymer heteronuclear porphyrin complex and preparation method and application thereof 中国科学院长春应用化学研究所 2024-05-24 CN disclosed
US-4720533-A Polyorganophosphazene curable in atmosphere ETHYL CORPORATION (US) 1988-01-19 US disclosed
EP-0144290-A2 Substituted ethylenediamine derivatives CIBA-GEIGY AG (CH) 1985-06-12 EP disclosed