SCHEMBL5364516

SCHEMBL5364516

O=C(CCl)CC(=O)Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.59
ALDH1A1 P00352 3/20 0.59
NPC1 O15118 2/20 0.59
MITF O75030 2/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HDAC3 O15379 3/20 0.56
HDAC4 P56524 3/20 0.56
HDAC1 Q13547 3/20 0.56
HDAC7 Q8WUI4 3/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC10 Q969S8 3/20 0.56
HDAC11 Q96DB2 3/20 0.56
HDAC8 Q9BY41 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
HDAC9 Q9UKV0 3/20 0.56
HDAC5 Q9UQL6 3/20 0.56
EPHX2 P34913 2/20 0.55
KDM1A O60341 1/20 0.55
MAPT P10636 4/20 0.54

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
SCHEMBL10617946 0.90 NPC1 (0.57) HTTALDH1A1NPC1MITFRAB9A
SCHEMBL27538195 0.87 EPHX2 (0.63) HTTSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL44662 0.85 HTT (0.78) HTTALDH1A1NPC1MITFRAB9A
SCHEMBL6416827 0.85 RNF4 (0.79) HTTALDH1A1NPC1MITFRAB9A
Methane SCHEMBL27966936 0.83 HTT (0.75) HTTALDH1A1NPC1MITFRAB9A
Hydrochloric Acid SCHEMBL9483678 0.83 HTT (0.75) HTTALDH1A1NPC1MITFRAB9A
Ammonia Solution, Strong SCHEMBL27754901 0.83 HTT (0.75) HTTALDH1A1NPC1MITFRAB9A
Iodide SCHEMBL998878 0.83 HTT (0.75) HTTALDH1A1NPC1MITFRAB9A
Hydrogen Sulfide SCHEMBL10948577 0.83 HTT (0.75) HTTALDH1A1NPC1MITFRAB9A
Ammonia Solution, Strong SCHEMBL27422908 0.83 HTT (0.75) HTTALDH1A1NPC1MITFRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115746579-A Preparation method of high level-dyeing-property-based dye product 宁夏保隆科技有限公司 2023-03-07 CN claimed
CN-114195671-A Asymmetric malonanilide compound and synthesis method thereof 河南师范大学 2022-03-18 CN claimed
CN-105295424-A Preparation method of pigment yellow 168 JIANGYAN XIQUE LAKE CHEMICAL FACTORY 2016-02-03 CN claimed
CN-103396680-B Preparation method for producing acid yellow based on acid-free high-temperature diazotization method ZHEJIANG DAJING CHEMICAL CO LTD 2014-11-12 CN claimed
CN-103408452-A Green synthesis process for p-chloro-o-nitroacetoanilide JIANGSU LONGCHANG CHEMICAL CO 2013-11-27 CN claimed
CN-103396680-A Preparation method for producing acid yellow based on acid-free high-temperature diazotization method ZHEJIANG DAJING CHEMICAL CO LTD 2013-11-20 CN claimed
JP-2006520397-A 2006-09-07 JP claimed
EP-1613625-A1 NOVEL FUSED TRIAZOLONES AND THE USES THEREOF AstraZeneca AB (SE) 2006-01-11 EP claimed
WO-2004081008-A1 NOVEL FUSED TRIAZOLONES AND THE USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO claimed
US-4642290-A OXIDOREDUCTASE ENZYMES FERMENTING 4-SUBSTITUTED-ACETOACETIC ESTERS OR AMIDES SIH CHARLES J (US) 1987-02-10 US claimed
EP-0097232-B1 PROCESS FOR THE PREPARATION OF 4-(TRIALKYLAMMONIUM)-ACETO-ACETARYLIDES LONZA AG (CH) 1986-10-15 EP claimed
US-4558158-A Process for the production of 4-(trialkylammonium)-acetoacetarylides LONZA LTD. (CH) 1985-12-10 US claimed
US-4064140-A FROM A CHLOROACETO-ACETANILIDE AND CYANIDE IONS CIBA-GEIGY CORPORATION (US) 1977-12-20 US claimed
CN-115746579-A Preparation method of high level-dyeing-property-based dye product 宁夏保隆科技有限公司 2023-03-07 CN disclosed
EP-3470472-B1 NEW METHINE DYES LANXESS DEUTSCHLAND GMBH (DE) 2022-12-07 EP disclosed
CN-114605764-A Carrier composition for inorganic fine particle dispersion, inorganic fine particle dispersion slurry composition, and method for producing inorganic fine particle dispersible tablet 积水化学工业株式会社 2022-06-10 CN disclosed
US-4064140-A FROM A CHLOROACETO-ACETANILIDE AND CYANIDE IONS CIBA-GEIGY CORPORATION (US) 1977-12-20 US disclosed
US-4064140-A FROM A CHLOROACETO-ACETANILIDE AND CYANIDE IONS CIBA-GEIGY CORPORATION (US) 1977-12-20 US disclosed
US-4059447-A Photographic material containing oxazolinone-2 couplers AGFA-GEVAERT AKTIENGESELLSCHAFT (DT) 1977-11-22 US disclosed
US-3969406-A Process for the production of carnitine LONZA LTD. (CH) 1976-07-13 US disclosed