SCHEMBL6724624

SCHEMBL6724624

C#CCN1C(=O)COc2cc(F)c(N)cc21

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.37
TSHR P16473 2/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
KMO O15229 1/20 0.33
PLK1 P53350 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL30010421 1.00 CHRM1 (0.37) CHRM1TSHRHTTPOLBCHRM5
SCHEMBL10532449 0.87 CHRM1 (0.37) CHRM1TSHRHTTPOLBCHRM5
SCHEMBL29136558 0.85 CHRM1 (0.38) CHRM1TSHRHTTPOLBCHRM5
SCHEMBL8599951 0.85 CHRM1 (0.38) CHRM1TSHRHTTPOLBCHRM5
SCHEMBL4683567 0.84 CHRM1 (0.37) CHRM1TSHRHTTPOLBCHRM5
SCHEMBL8600207 0.82 RORC (0.43) CHRM1TSHRHTTPOLBCHRM5
SCHEMBL29901589 0.81 CHRM1 (0.43) CHRM1TSHRHTTCHRM5CHRM3
SCHEMBL25359353 0.81 CHRM1 (0.35) CHRM1TSHRHTTPOLBCHRM5
SCHEMBL30194045 0.81 CHRM1 (0.35) CHRM1TSHRHTTPOLBCHRM5
SCHEMBL1276934 0.80 CHRM1 (0.37) CHRM1TSHRHTTPOLBCHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110066282-B Pyrazolopyrimidinone compound and preparation method and application thereof 南开大学 2020-07-10 CN claimed
CN-110655513-A Synthetic method of flumioxazin 浙江南郊化学有限公司 2020-01-07 CN claimed
WO-2014122674-A1 PROCESS FOR PREPARATION OF DERIVATIVES OF TETRAHYDROPHTHALIMIDE RALLIS INDIA LIMITED (IN) 2014-08-14 WO claimed
EP-0626370-B1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL CO (JP) 1998-02-11 EP claimed
EP-0626370-A1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1994-11-30 EP claimed
JP-61076486-A None JP disclosed
JP-61140573-A None JP disclosed
CN-117378617-A Flumioxazin herbicide and preparation method thereof 甘肃联凯生物科技有限公司 2024-01-12 CN disclosed
CN-117164576-A Synthesis method of flumioxazin 上海农帆生物科技有限公司 2023-12-05 CN disclosed
CN-115466249-A Preparation method of flumioxazin 上海农帆生物科技有限公司 2022-12-13 CN disclosed
CN-113200924-B 4-amino-5-pyrimidine formamide compound and preparation method and application thereof 南开大学 2022-11-01 CN disclosed
CN-113200985-B Pteridinone compound and preparation method and application thereof 南开大学 2022-09-09 CN disclosed
EP-0305923-A1 Benzoxazinyl-triazole oxides, their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-03-08 EP disclosed
EP-0304935-A1 Tetrahydroindazolyl-benzoxazines, their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-03-01 EP disclosed
US-4792605-A TETRAHYDROPHTHALIMIDES; HERBICIDES SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1988-12-20 US disclosed
US-4640707-A Tetrahydrophthalimides and their herbicidal use SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1987-02-03 US disclosed
JP-S61140573-A AMINOBENZOXAZINE DERIVATIVE AND PREPARATION THEREOF SUMITOMO CHEM CO LTD 1986-06-27 JP disclosed
JP-S6176486-A TETRAHYDROPHTHALIMIDE DERIVATIVE, ITS PRODUCTION, AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT SUMITOMO CHEM CO LTD 1986-04-18 JP disclosed
EP-0170191-A2 Tetrahydrophtalimides, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-02-05 EP disclosed
JP-S06176486-A 0001-01-01 JP disclosed