SCHEMBL9632807

SCHEMBL9632807

O=C1C=CC(=O)C(N(c2ccccc2)c2ccccc2)=C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.45
▸ MAOB P27338 4/20 0.45
▸ HSD17B3 P37058 1/20 0.42
▸ POLB P06746 1/20 0.38
▸ PTPN1 P18031 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ ALDH1A1 P00352 8/20 0.36
▸ HPGD P15428 3/20 0.36
▸ ALOX12 P18054 3/20 0.36
▸ ATM Q13315 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ RUNX1 Q01196 1/20 0.36
▸ CBFB Q13951 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ ALOX15 P16050 3/20 0.36
▸ IDO1 P14902 1/20 0.36

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
SCHEMBL21818849 0.82 CES1 (0.46) POLBPTPN1CES1ALDH1A1HPGD
SCHEMBL28769989 0.80 NR3C2 (0.41) MAOAMAOBHSD17B3PTPN1CES1
Benzoquinone SCHEMBL29153044 0.77 ALDH1A1 (0.50) MAOAMAOBHSD17B3POLBALDH1A1
SCHEMBL6274683 0.73 MEN1 (0.41) MAOAMAOBPTPN1ALDH1A1HTT
SCHEMBL29553450 0.68 PTPN1 (0.35) POLBPTPN1CES1ALDH1A1HPGD
SCHEMBL5179874 0.66 ERBB2 (0.41) MAOAMAOBHSD17B3POLBALDH1A1
SCHEMBL2211488 0.65 POLB (0.41) POLBPTPN1CES1ALDH1A1HPGD
SCHEMBL9490577 0.65 ALDH1A1 (0.67) POLBALDH1A1HPGDATMHTT
Benzene SCHEMBL28083527 0.65 ALDH1A1 (0.67) POLBALDH1A1HPGDATMHTT
SCHEMBL30959 0.65 ALDH1A1 (0.67) POLBALDH1A1HPGDATMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114931141-A Synergistic fungicidal mixtures for controlling fungi in cereals 阿达玛马克西姆股份有限公司 2022-08-23 — — CN disclosed
CN-114794123-A Synergistic fungicidal mixtures for controlling fungi in cereals 阿达玛马克西姆股份有限公司 2022-07-29 — — CN disclosed
CN-110352006-B Picolinamides as fungicides 美国陶氏益农公司 2022-02-18 — — CN disclosed
CN-113615696-A Pyridine amide compounds having fungicidal activity 美国陶氏益农公司 2021-11-09 — — CN disclosed
CN-107205405-B Pyridine amide compounds having fungicidal activity 美国陶氏益农公司 2021-08-24 — — CN disclosed
EP-3856792-A1 AMINO-QUINONE ANTIPOLYMERANTS AND METHODS OF USING Ecolab USA, Inc. (US) 2021-08-04 — — EP disclosed
CN-113173838-A Pyridine amide compounds having fungicidal activity 美国陶氏益农公司 2021-07-27 — — CN disclosed
CN-107205386-B Pyridinamides with fungicidal activity 美国陶氏益农公司 2021-07-23 — — CN disclosed
CN-112739725-A Amino quinone anti-polymerization agents and methods of use thereof 埃科莱布美国股份有限公司 2021-04-30 — — CN disclosed
CN-107207414-B Pyridine amide compounds having fungicidal activity 美国陶氏益农公司 2021-03-30 — — CN disclosed
CN-107205399-B Picolinamides as fungicides 美国陶氏益农公司 2021-01-29 — — CN disclosed
CN-107205398-B Pyridine amide compounds having fungicidal activity 美国陶氏益农公司 2020-08-21 — — CN disclosed
WO-2020068735-A1 AMINO-QUINONE ANTIPOLYMERANTS AND METHODS OF USING ECOLAB USA INC. (US) 2020-04-02 — — WO disclosed
CN-110621157-A Use of difluoro- (2-hydroxypropyl) pyridine compounds as fungicides for controlling phytopathogenic fungi of rice 美国陶氏益农公司 2019-12-27 — — CN disclosed
US-5130471-A Storage stability of acrylic monomers by addition of cyclic amine and phenothiazine NALCO COMPANY 1992-07-14 — — US disclosed
EP-0292906-A2 Process for the preparation of Triphendioxazine compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-30 — — EP disclosed
US-4021310-A Method for inhibiting the polymerization of acrylic acid or its esters NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JA) 1977-05-03 — — US disclosed
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