SCHEMBL5035695

SCHEMBL5035695

O=NCCCCc1ccccc1.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.55
NAAA Q02083 3/20 0.53
MAOA P21397 1/20 0.50
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HTR3A P46098 1/20 0.48
MAOB P27338 2/20 0.48
SIGMAR1 Q99720 4/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC1 Q13547 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 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
SCHEMBL1523403 0.98 MIF (0.57) MIFNAAAMAOAMAPTRXFP1
SCHEMBL29152182 0.96 NAAA (0.58) MIFNAAAMAOAMAPTRXFP1
SCHEMBL21694457 0.96 MIF (0.55) MIFNAAAMAOAMAPTRXFP1
Hydrochloric Acid SCHEMBL28503124 0.96 MIF (0.55) MIFNAAAMAOAMAPTRXFP1
SCHEMBL10456657 0.96 MIF (0.55) MIFNAAAMAOAMAPTRXFP1
SCHEMBL3465495 0.91 HTR3A (0.57) MIFNAAAMAOAMAPTRXFP1
P-Xylene SCHEMBL28772421 0.88 SCN5A (0.52) MIFNAAAMAOAMAPTRXFP1
Toluene SCHEMBL27574812 0.88 SCN5A (0.49) MIFNAAAMAOAMAPTRXFP1
SCHEMBL944031 0.81 HIF1A (0.52) MIFMAOAMAPTHTR3AMAOB
SCHEMBL9819738 0.79 NAAA (0.64) MIFNAAAMAOAMAPTRXFP1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12221524-B2 Polymerization initiator, curable composition, dental material, and preparation kit for curable composition MITSUI CHEMICALS, INC. (JP) 2025-02-11 US disclosed
CN-118139614-A Sterile liposome-containing compositions and articles 脂肪球有限公司 2024-06-04 CN disclosed
EP-3835329-B1 POLYMERIZATION INITIATOR, CURABLE COMPOSITION, DENTAL MATERIAL, AND PREPARATION KIT FOR CURABLE COMPOSITION MITSUI CHEMICALS INC (JP) 2024-05-01 EP disclosed
CN-112920092-B Prodrugs of glutamine analogues 约翰霍普金斯大学 2024-04-26 CN disclosed
CN-111479574-B Compounds for the treatment and prevention of extracellular histone mediated pathologies 澳大利亚国立大学 2024-02-09 CN disclosed
CN-117462563-A Compounds for the treatment and prevention of extracellular histone mediated pathologies 澳大利亚国立大学 2024-01-30 CN disclosed
CN-117427084-A Compounds for the treatment and prevention of extracellular histone mediated pathologies 澳大利亚国立大学 2024-01-23 CN disclosed
CN-117280030-A Agents, compositions and methods for treating hypoxia and ischemia related conditions 梅兰德制药公司 2023-12-22 CN disclosed
US-20230323084-A1 POLYMERIZATION INITIATOR, CURABLE COMPOSITION, DENTAL MATERIAL, AND PREPARATION KIT FOR CURABLE COMPOSITION MITSUI CHEMICALS, INC. (JP) 2023-10-12 US disclosed
CN-116507327-A Chewable formulations 礼蓝动物保健有限公司 2023-07-28 CN disclosed
CN-114828897-A Modulation of cell viability 麦考瑞大学 2022-07-29 CN disclosed
CN-114716390-A Compositions and methods for treating and/or preventing necrosis of cells or tissue ELA制药有限公司 2022-07-08 CN disclosed
CN-108135863-B EGR1 targeting molecules for the treatment of inflammatory and hyperproliferative conditions 特拉维夫医疗中心医学研究基础设施和保健服务基金会 2021-07-27 CN disclosed
EP-3835329-A1 POLYMERIZATION INITIATOR, CURABLE COMPOSITION, DENTAL MATERIAL, AND PREPARATION KIT FOR CURABLE COMPOSITION Mitsui Chemicals, Inc. (JP) 2021-06-16 EP disclosed
US-20210130580-A1 POLYMERIZATION INITIATOR, CURABLE COMPOSITION, DENTAL MATERIAL, AND PREPARATION KIT FOR CURABLE COMPOSITION MITSUI CHEMICALS, INC. (JP) 2021-05-06 US disclosed
WO-2020031897-A1 POLYMERIZATION INITIATOR, CURABLE COMPOSITION, DENTAL MATERIAL, AND PREPARATION KIT FOR CURABLE COMPOSITION 三井化学株式会社 2020-02-13 WO disclosed
CN-107690429-A composition for the treatment and/or prevention of cell or tissue necrosis, specifically targeting cathepsin C and/or CE L a1 and/or CE L A3A and/or enzymes structurally related thereto ELA制药有限公司 2018-02-13 CN disclosed
CN-107085113-A Gelsolin diagnoses and treated the purposes of inflammatory disease 布赖汉姆妇女医院有限公司 2017-08-22 CN disclosed
EP-1981343-A2 TREATMENT OF INFLAMMATORY DISORDERS WITH TRIAZOLE COMPOUNDS Barrier Therapeutics, Inc. (US) 2008-10-22 EP disclosed
WO-2007084542-A2 TREATMENT OF INFLAMMATORY DISORDERS WITH TRIAZOLE COMPOUNDS BARRIER THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed