SCHEMBL7393

SCHEMBL7393

COC(=O)c1ccc(C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.57
CA2 P00918 4/20 0.57
TDP1 Q9NUW8 1/20 0.57
CA12 O43570 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
POLB P06746 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
MAPT P10636 3/20 0.55
TSHR P16473 1/20 0.54
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRB3 P13945 1/20 0.53
NAMPT P43490 1/20 0.52
ALDH1A1 P00352 2/20 0.52
PTPN11 Q06124 1/20 0.51
GSK3B P49841 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.50

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
Charcoal, Activated SCHEMBL31430427 0.98 CA1 (0.55) CA1CA2TDP1CA12CA7
SCHEMBL7401479 0.94 CA1 (0.53) CA1CA2TDP1CA12CA7
SCHEMBL13063631 0.94 CA1 (0.53) CA1CA2TDP1CA12CA7
SCHEMBL20764570 0.94 PTPN11 (0.59) CA1CA2TDP1CA12CA7
SCHEMBL28266241 0.91 NAMPT (0.53) CA1CA2TDP1CA12CA7
SCHEMBL8229744 0.91 PARP15 (0.65) CA1CA2TDP1CA12CA7
SCHEMBL6568159 0.89 PTPN1 (0.58) CA1CA2TDP1CA12CA7
Biphenyl SCHEMBL27439150 0.89 TSHR (0.58) CA1CA2TDP1CA12CA7
SCHEMBL28445821 0.89 SAE1 (0.57) CA1CA2CA12CA9CA14
SCHEMBL7069395 0.88 TSHR (0.61) CA1CA2TDP1CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777096-B Preparation method of ze Bei Nuosi his 江西师范大学 2026-05-19 CN claimed
CN-120020114-A Preparation method of N-alkenyl amide compound 中国石油化工股份有限公司 2025-05-20 CN claimed
CN-120020115-A Process for the preparation of N- (alkyl-2-hydroxy) alkylamides and N-alkenylamides 中国石油化工股份有限公司 2025-05-20 CN claimed
CN-119462422-A Preparation method of methyl p-cyanobenzoate 南京科技职业学院 2025-02-18 CN claimed
CN-113817000-B Ferrocene-triazole Schiff base derivative and preparation method thereof 哈尔滨理工大学 2024-07-05 CN claimed
CN-117777096-A Preparation method of zee Bei Nuosi his 江西师范大学 2024-03-29 CN claimed
CN-117126185-A Difluoro boron beta-diketonate complex fluorescent probe and preparation method and application thereof 西北工业大学深圳研究院 2023-11-28 CN claimed
CN-113861069-B Preparation method of nitrile compound 陕西国际商贸学院 2023-06-16 CN claimed
CN-113817000-A Ferrocene-triazole Schiff base derivative and preparation method thereof 哈尔滨理工大学 2021-12-21 CN claimed
CN-112920078-A Method for preparing 4-cyanobenzoic acid methyl ester and method for preparing 4-cyanobenzoic acid 武汉珈汇精化科技有限公司 2021-06-08 CN claimed
CN-112898191-A Arylation method of indoline 绍兴文理学院 2021-06-04 CN claimed
CN-112812060-A Arylation method of tetrahydroquinoline 绍兴文理学院 2021-05-18 CN claimed
CN-112778184-A Method for arylating alpha position of tertiary amine 绍兴文理学院 2021-05-11 CN claimed
CN-107353176-B Method for catalytically converting cyano into deuterated methyl, aromatic deuterated methyl compound prepared by method and application of aromatic deuterated methyl compound 中国科学院广州生物医药与健康研究院 2020-12-29 CN claimed
CN-107353176-A A kind of method, the deuterated methyl compound of the aromatic series being prepared and its application that cyano group is catalytically converted into deuterated methyl 中国科学院广州生物医药与健康研究院 2017-11-17 CN claimed
CN-104151183-B A kind of preparation method of 4-acetyl aminomethyl methyl cyclohexanecarboxylaand JIANG University OF TECHNOLOGY (CN) 2016-04-13 CN claimed
CN-104151183-A Preparation method of methyl 4-acetylaminomethyl hexahydrobenzoate UNIV ZHEJIANG TECHNOLOGY 2014-11-19 CN claimed
US-8779277-B2 Light energy conversion material KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2014-07-15 US claimed
US-8247680-B2 Light energy conversion material KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2012-08-21 US claimed
US-20120181163-A1 LIGHT ENERGY CONVERSION MATERIAL KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2012-07-19 US claimed