SCHEMBL612437

SCHEMBL612437

[O]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.63
ALDH1A1 P00352 5/20 0.61
TSHR P16473 3/20 0.61
GPR35 Q9HC97 2/20 0.61
MAPK1 P28482 2/20 0.61
TP53 P04637 1/20 0.61
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HIF1A Q16665 1/20 0.61
TXNRD1 Q16881 1/20 0.59
TXNRD3 Q86VQ6 1/20 0.59
TXNRD2 Q9NNW7 1/20 0.59
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
GAA P10253 2/20 0.49
HSD17B10 Q99714 1/20 0.48
PTPRC P08575 1/20 0.47
S100A4 P26447 1/20 0.47
MAPT P10636 3/20 0.46
KMT2A Q03164 2/20 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
SCHEMBL8715422 0.81 TSHR (0.54) TDP1ALDH1A1TSHRGPR35MAPK1
SCHEMBL600206 0.81 TDP1 (0.68) TDP1ALDH1A1TSHRGPR35MAPK1
SCHEMBL29809877 0.81 TDP1 (0.68) TDP1ALDH1A1TSHRGPR35MAPK1
SCHEMBL5958796 0.79 TDP1 (0.65) TDP1ALDH1A1TSHRGPR35MAPK1
SCHEMBL5333075 0.78 CYP1A2 (0.66) TDP1ALDH1A1TSHRGPR35MAPK1
SCHEMBL30293804 0.77 TDP1 (1.00) TDP1ALDH1A1TSHRGPR35MAPK1
SCHEMBL33520 0.77 TDP1 (1.00) TDP1ALDH1A1TSHRGPR35MAPK1
SCHEMBL7235609 0.76 HSD17B10 (0.69) TDP1ALDH1A1TSHRGPR35LMNA
SCHEMBL3029469 0.76 ALDH1A1 (0.59) TDP1ALDH1A1TSHRGPR35MAPK1
SCHEMBL7356876 0.76 ALDH1A1 (0.69) TDP1ALDH1A1TSHRGPR35SMN1; SMN2

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 1331 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024126677-A1 MUTATED LACTO-N-BIOSIDASE DSM IP ASSETS B.V. (NL) 2024-06-20 WO claimed
WO-2022257351-A1 POLYDISULFIDE MATERIAL HAVING EXCELLENT OPTICAL PROPERTIES AND PREPARATION METHOD THEREFOR 大连理工大学 2022-12-15 WO claimed
CN-114920751-B Three-center metal complex and application thereof 齐齐哈尔大学 2022-12-13 CN claimed
CN-114957344-A Trinuclear cobalt compound, electron-withdrawing group multi-polyester material and preparation method thereof 中国科学院长春应用化学研究所 2022-08-30 CN claimed
CN-114920751-A Three-center metal complex and application thereof 齐齐哈尔大学 2022-08-19 CN claimed
CN-113461926-B Chemical synthesis method of poly beta-hydroxy fatty acid ester 大连理工大学 2022-08-02 CN claimed
CN-114315915-A Binuclear Schiff base cobalt complex and preparation method and application thereof 中国科学院长春应用化学研究所 2022-04-12 CN claimed
WO-2021042658-A1 METHOD FOR SYNTHESIZING ALIPHATIC POLYESTER BLOCK COPOLYMER REGULATED BY CARBON MONOXIDE 华中科技大学 2021-03-11 WO claimed
CN-111138396-A Method for synthesizing glutaconic anhydride compound by using carbon dioxide 大连理工大学 2020-05-12 CN claimed
CN-110240545-A A kind of fluoro- 2,4- 2,4-dinitrophenoxy of 2-(5-) acetic acid preparation method 浙江省诸暨合力化学对外贸易有限公司 2019-09-17 CN claimed
EP-0476697-A1 Benzofuranyl- and benzothiophenyl substituted uracil derivatives, and their production and use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-03-25 EP claimed
EP-0175363-B1 4,5-DIHYDRO-3(2H)-PYRIDAZINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1990-01-17 EP claimed
EP-0246868-A1 Site specific alkylating agents FARMITALIA CARLO ERBA S.r.l. (IT) 1987-11-25 EP claimed
US-4672106-A ANTITUMOR AGENTS Hamaoka, Toshiyuki (JP) 1987-06-09 US claimed
EP-0175363-A2 4,5-Dihydro-3(2H)-pyridazinones, process for their preparation and their use CASSELLA Aktiengesellschaft (DE) 1986-03-26 EP claimed
US-4483919-A 1-PHENYL-2-SUBSTITUTED-3-OXO-PYRAZOLIDINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1984-11-20 US claimed
US-4436828-A Reactive asymmetrical dicarboxylic acid esters and reagents for the investigation of cardiac glycosides BOEHRINGER MANNHEIM GMBH (DE) 1984-03-13 US claimed
US-4145549-A CYCLIZATION, SOLVOLYSIS SANDOZ LTD. (CH) 1979-03-20 US claimed
US-4123614-A USED IN DETECTION AND MEASUREMENT OF BIOLOGICAL SYSTEMS AND/OR COMPONENTS SYNTEX (U.S.A.) INC. (US) 1978-10-31 US claimed
US-4000139-A ERGOT ALKALOID INTERMEDIATES SANDOZ LTD. (CH) 1976-12-28 US claimed