SCHEMBL27328289

SCHEMBL27328289

O=CC1COc2cc(F)ccc2N1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.35
▸ CYP19A1 P11511 2/20 0.35
▸ CA2 P00918 1/20 0.35
▸ NR3C2 P08235 9/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ ADRA2A P08913 1/20 0.32
▸ FABP6 P51161 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NR3C1 P04150 2/20 0.32
▸ PGR P06401 1/20 0.32
▸ AKR1B1 P15121 1/20 0.32

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
SCHEMBL27711035 0.81 BRD4 (0.38) ESR1ESR2
SCHEMBL27756127 0.81 KDM4E (0.33) CYP19A1
SCHEMBL27328163 0.77 GAA (0.43) CYP19A1CA2KMT2A
SCHEMBL27587569 0.77 CHRNB4 (0.39) KMT2ANR3C1PGR
SCHEMBL27338995 0.76 — —
SCHEMBL9035075 0.76 AR (0.43) DAOCYP19A1CA2NR3C2NR3C1
SCHEMBL9035064 0.76 AR (0.43) DAOCYP19A1CA2NR3C2NR3C1
SCHEMBL17363926 0.74 AKR1B1 (0.41) CYP19A1CA2NR3C2NR3C1AKR1B1
SCHEMBL17363798 0.74 AKR1B1 (0.41) CYP19A1CA2NR3C2NR3C1AKR1B1
SCHEMBL17363916 0.74 AKR1B1 (0.41) CYP19A1CA2NR3C2NR3C1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
CN-113045557-A Production process of flumioxazin herbicide 宁夏一帆生物科技有限公司 2021-06-29 — — CN claimed
CN-118146172-A Preparation method of 7-fluoro-6-amino-2H-1, 4-benzoxazine-3 (4H) -one 帕潘纳(北京)科技有限公司 2024-06-07 — — CN disclosed
CN-118146172-A Preparation method of 7-fluoro-6-amino-2H-1, 4-benzoxazine-3 (4H) -one 帕潘纳(北京)科技有限公司 2024-06-07 — — CN 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-116655554-A Green synthesis method of flumioxazin key intermediate 浙江南郊化学有限公司 2023-08-29 — — CN disclosed
CN-113045557-A Production process of flumioxazin herbicide 宁夏一帆生物科技有限公司 2021-06-29 — — CN disclosed
CN-112480101-A IRAK4 kinase inhibitor and preparation and application thereof 中国科学院上海药物研究所 2021-03-12 — — CN disclosed
CN-103965181-A Preparation method of flumioxazin UNIV HEILONGJIANG 2014-08-06 — — CN disclosed
CN-103951632-A Preparation method of 2,2,7-trifluoro-2H-1,4-benzoxazine-3(4H)-ketone compound NUTRICHEM CO LTD 2014-07-30 — — CN disclosed
CN-1032479-A Replace azoles and its method for making of piperazine compounds and weeding purpose SCHERING AG (DE) 1989-04-26 — — CN disclosed
CN-88100210-A TETRAZOLINONE HERBICIDES — 1988-07-27 — — CN disclosed
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