SCHEMBL27964810

SCHEMBL27964810

O=CC1COc2cc(F)c([N+](=O)[O-])cc2N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.36
▸ ATM Q13315 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ MAPT P10636 10/20 0.32
▸ LMNA P02545 4/20 0.32
▸ HTT P42858 3/20 0.32
▸ GAA P10253 3/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ESPL1 Q14674 1/20 0.31
▸ VCAM1 P19320 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ MITF O75030 1/20 0.31
▸ MEN1 O00255 2/20 0.31

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
SCHEMBL27701170 0.82 VCAM1 (0.39) AKR1B1ALDH1A1MAPTLMNAGAA
SCHEMBL9030857 0.81 AR (0.43) AKR1B1ATMTDP1ALDH1A1HIF1A
SCHEMBL9030851 0.81 AR (0.43) AKR1B1ATMTDP1ALDH1A1HIF1A
SCHEMBL27338995 0.78 — —
SCHEMBL27306329 0.76 CHRNB4 (0.39) ALDH1A1MAPTGAAPGRMEN1
SCHEMBL27587569 0.76 CHRNB4 (0.39) ALDH1A1MAPTGAAPGRMEN1
SCHEMBL27328289 0.72 DAO (0.35) AKR1B1PGRKMT2A
SCHEMBL27687591 0.71 ERN1 (0.38) AKR1B1ALDH1A1MAPTNPSR1MEN1
SCHEMBL27804610 0.71 VCAM1 (0.35) TDP1ALDH1A1MAPTLMNAHTT
SCHEMBL19030215 0.71 MAPT (0.41) AKR1B1ATMTDP1ALDH1A1HIF1A

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 4 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-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-103965181-A Preparation method of flumioxazin UNIV HEILONGJIANG 2014-08-06 — — CN disclosed
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