SCHEMBL7040103

SCHEMBL7040103

NNC(=O)C=CC=Cc1ccc2c(c1)OCO2

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.78
▸ HSD17B10 Q99714 3/20 0.70
▸ CYP1A2 P05177 2/20 0.70
▸ TRPV1 Q8NER1 4/20 0.66
▸ HDAC3 O15379 1/20 0.60
▸ HDAC1 Q13547 1/20 0.60
▸ GABRA1 P14867 3/20 0.60
▸ GABRB2 P47870 3/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ MAOB P27338 2/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ HPGD P15428 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ CTSD P07339 1/20 0.60
▸ ABCB1 P08183 1/20 0.60
▸ ALOX5 P09917 1/20 0.60
▸ MAOA P21397 1/20 0.60
▸ MAPK1 P28482 1/20 0.60

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
Hydrochloric Acid SCHEMBL27337301 0.99 HDAC6 (0.76) HDAC6HSD17B10CYP1A2TRPV1HDAC3
Hydrochloric Acid SCHEMBL27627702 0.99 HDAC6 (0.76) HDAC6HSD17B10CYP1A2TRPV1HDAC3
Hydrochloric Acid SCHEMBL27276199 0.97 HDAC6 (0.74) HDAC6HSD17B10CYP1A2TRPV1HDAC3
SCHEMBL11491145 0.90 MAOB (0.65) HDAC6HSD17B10CYP1A2KDM4EALDH1A1
SCHEMBL11491143 0.90 MAOB (0.65) HDAC6HSD17B10CYP1A2KDM4EALDH1A1
SCHEMBL28890661 0.87 HDAC6 (1.00) HDAC6HSD17B10CYP1A2TRPV1HDAC3
Methylamine SCHEMBL15948925 0.87 KDM4E (0.66) HDAC6CYP1A2KDM4EALDH1A1MAOB
SCHEMBL11469117 0.86 HDAC6 (0.78) HDAC6HSD17B10CYP1A2TRPV1HDAC3
SCHEMBL11469118 0.86 HDAC6 (0.78) HDAC6HSD17B10CYP1A2TRPV1HDAC3
SCHEMBL11437675 0.86 HDAC6 (0.78) HDAC6HSD17B10CYP1A2TRPV1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104961672-A Synthetic method of tartrate of N-(4-fluorobenzyl)-N-(1-methylpiperidine-4-yl)-N'-(4-isobutoxybenzyl)urea UNIV SHENYANG PHARMACEUTICAL 2015-10-07 — — CN claimed
CN-104829650-A Hindered amine light stabilizer with thermal stability and preparation method thereof UNIV XIANGTAN 2015-08-12 — — CN claimed
CN-103421210-B Dimethylhydrazine-type stabilizer and stabilizer composition FDC LEES CHEMICAL INDUSTRY CO LTD 2015-03-18 — — CN claimed
CN-104016977-A Substituted thiadiazine diketone derivative as well as preparation method and application thereof UNIV SHANDONG 2014-09-03 — — CN claimed
CN-103497146-A 2-(N-alkyl piperidinol-4-amino)-4-(substituent phenol) benzene ring derivative as well as preparation method and application thereof UNIV SHANDONG 2014-01-08 — — CN claimed
CN-103305023-A Triazine type azo dye and preparation method thereof Shanghai waysmos fine chemical co ltd 2013-09-18 — — CN claimed
CN-102199285-A Nylon 6 slices for superfine sea-island fibers and manufacturing method thereof WEIHAI HUAWANG NYLON CHEMICAL CO LTD 2011-09-28 — — CN claimed
CN-101864188-A Sunproof water-soluble dye, method for preparing same and application thereof Shanghai waysmos fine chemical co ltd 2010-10-20 — — CN claimed
CN-101280118-A Weather-resistant azo-dyes, preparation and use thereof SHANGHAI WAYSMOS FINE CHEMICAL (CN) 2008-10-08 — — CN claimed
CN-1038936-C N-(4-Piperidinyl) (dihydrobenzofuran or dihydro-2H-benzopyran) Carboxamide derivatives JANSSEN PHARMACEUTICA NV (BE) 1998-07-01 — — CN claimed
CN-1034502-C N-(3-hydroxy-4-piperidinyl) (dihydrobenzofuran, dihydro-2H-benzopyran or dihydrobenzodioxin) carboxamide derivatives JANSSEN PHARMACEUTICA NV (BE) 1997-04-09 — — CN claimed
CN-1054598-A The preparation method of carboxamides derivatives JANSSEN PHARMACEUTICA NV (BE) 1991-09-18 — — CN claimed
CN-1045781-A N-(3-hydroxy-4-piperidinyl base) (Dihydrobenzofuranes, dihydro-2H-chromene or dihydrobenzo two  English) carboxamides derivatives JANSSEN PHARMACEUTICA NV (BE) 1990-10-03 — — CN claimed
CN-105568762-A Preparation method and application of carbon quantum dot light stabilizer UNIV SHAANXI SCIENCE & TECH 2016-05-11 — — CN disclosed
CN-103497146-B 2-(N-arylmethyl piperidines-4-is amino)-4-(fortified phenol) phenyl ring derivative and preparation method thereof and application SHANDONG UNIVERSITY (CN) 2016-04-13 — — CN disclosed
CN-105331314-A Weather-resistant epoxy glue as well as preparation method and applications thereof WANHUA CHEMICAL GROUP CO LTD 2016-02-17 — — CN disclosed
CN-1044099-A The 2-aminopyrimidinone derivatives JANSSEN PHARMACEUTICA NV (BE) 1990-07-25 — — CN disclosed
CN-1005975-B Method for producing 2,2,6, 6-tetraalkyl-4-piperidinamine 尤尼罗亚尔化学公司 1989-12-06 — — CN disclosed
CN-86102649-A 2,2,6, the production method of 6-tetraalkyl-4-piperylhydrazine — 1986-12-17 — — CN disclosed
CN-86101964-A Liquid coating composition and with the method for its coated substrates — 1986-09-24 — — CN disclosed
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