SCHEMBL4667166

SCHEMBL4667166

O=[N+]([O-])c1ccc(-c2ccc(O)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
GPR35 Q9HC97 2/20 0.58
TSHR P16473 2/20 0.58
TP53 P04637 1/20 0.58
HPGD P15428 1/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MAPT P10636 2/20 0.54
ELANE P08246 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
HIF1A Q16665 1/20 0.49
NPBWR1 P48145 1/20 0.48
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
CA12 O43570 1/20 0.47
LMNA P02545 1/20 0.47
CA9 Q16790 1/20 0.47
DYRK1A Q13627 1/20 0.46
DYRK1B Q9Y463 1/20 0.46

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
SCHEMBL28244181 0.98 ALDH1A1 (0.56) ALDH1A1GPR35TSHRTP53HPGD
SCHEMBL6801027 0.87 MAPT (0.59) ALDH1A1MAPTTDP1CA12LMNA
SCHEMBL28272052 0.86 GPR35 (0.58) ALDH1A1GPR35TSHRTP53HPGD
SCHEMBL10711868 0.83 TDP1 (0.59) ALDH1A1GPR35TSHRTP53HPGD
SCHEMBL28366256 0.83 ACHE (0.57) ALDH1A1GPR35TSHRTP53HPGD
SCHEMBL2137404 0.82 ALDH1A1 (0.63) ALDH1A1GPR35TSHRTP53HPGD
SCHEMBL11781006 0.82 TDP1 (0.61) ALDH1A1GPR35TSHRTP53HPGD
SCHEMBL10426676 0.81 HSD17B10 (0.55) ALDH1A1GPR35TSHRTP53MAPK1
SCHEMBL9807396 0.81 ALDH1A1 (0.55) ALDH1A1GPR35TSHRELANETDP1
SCHEMBL9807395 0.81 ELANE (0.50) ALDH1A1GPR35TSHRTP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109988290-A A kind of preparation method of oligomeric Metalloporphyrins and polycarbonate 中国科学院长春应用化学研究所 2019-07-09 CN claimed
CN-109195611-A Methods and compositions for CAR T cell therapy 普渡研究基金会 2019-01-11 CN claimed
CN-108774256-A A kind of preparation method of oligomeric multicenter Metalloporphyrins and makrolon 中国科学院长春应用化学研究所 2018-11-09 CN claimed
CN-107782707-A Application of the three benzothiazolyl benzene in nitryl aromatic explosive fluoroscopic examination 华南师范大学 2018-03-09 CN claimed
CN-106635316-A Vehicle lubricating oil and preparation method thereof 苏州圣鑫莱新材料有限公司 2017-05-10 CN claimed
CN-104327036-B A kind of preparation method of cyclic carbonate 中国科学院长春应用化学研究所 2017-03-29 CN claimed
US-4538006-A Aromatic coupling process ETHYL CORPORATION (US) 1985-08-27 US claimed
CN-106770696-B A kind of resin cation microfluidic chromatography post separation enrichment, ore by thiocyanate spectrophotometry measure the analysis method of Determination of Trace Rhenium in alkaline uranium solution 东华理工大学 2019-11-15 CN disclosed
CN-110358414-A A kind of Si modification dumb light UV resin and preparation method thereof 江门市恒之光环保新材料有限公司 2019-10-22 CN disclosed
CN-110237033-A 2,4 dinitrophenol injections of one kind and its preparation method and application 成都医学院 2019-09-17 CN disclosed
CN-107649101-B Mercapto-functionalized titania molecule trace composite material and its aqueous phase preparation method and application 湖南大学 2019-09-10 CN disclosed
CN-109988290-A A kind of preparation method of oligomeric Metalloporphyrins and polycarbonate 中国科学院长春应用化学研究所 2019-07-09 CN disclosed
CN-109884010-A A kind of preparation method of high specific surface area porous carbonitride and method using its fluorescence detection TNP 黑龙江大学 2019-06-14 CN disclosed
EP-1193250-B1 PHENYL SULFAMATE DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2008-06-04 EP disclosed
CN-1181872-C Medicine for acute pulmonary infection and its preparing method 张晴龙 2004-12-29 CN disclosed
US-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
CN-1424078-A Medicine for acute pulmonary infection and its preparing method ZHANG QINGLONG (CN) 2003-06-18 CN disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 EP disclosed
US-4538006-A Aromatic coupling process ETHYL CORPORATION (US) 1985-08-27 US disclosed
US-4538006-A Aromatic coupling process ETHYL CORPORATION (US) 1985-08-27 US disclosed