SCHEMBL29136555

SCHEMBL29136555

CCOC(=O)COc1cc(F)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
ALDH1A1 P00352 8/20 0.44
LMNA P02545 4/20 0.44
HPGD P15428 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
NTSR1 P30989 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 2/20 0.44
MAPK1 P28482 2/20 0.44
RAB9A P51151 2/20 0.44
TLR9 Q9NR96 2/20 0.44
S1PR4 O95977 1/20 0.44
ITGA4 P13612 1/20 0.44
S1PR1 P21453 1/20 0.44
POLB P06746 3/20 0.42
MEN1 O00255 2/20 0.42

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
SCHEMBL9863069 0.90 MAPT (0.50) MAPTALDH1A1LMNAHPGDNPSR1
SCHEMBL12065746 0.85 MAPT (0.49) MAPTALDH1A1LMNAHPGDNPSR1
SCHEMBL31434942 0.84 MAPT (0.45) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL17543791 0.84 MAPT (0.45) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL34474457 0.82 PDGFRB (0.46) MAPTALDH1A1LMNAHPGDNPSR1
SCHEMBL8181043 0.81 MAPT (0.49) MAPTALDH1A1LMNAHPGDNPSR1
SCHEMBL23932848 0.80 MAPT (0.40) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL6960 0.80 ALDH1A1 (0.56) MAPTALDH1A1LMNAHPGDNPSR1
SCHEMBL4261703 0.80 MAPT (0.51) MAPTALDH1A1LMNAHPGDNPSR1
SCHEMBL23589335 0.80 ALDH1A1 (0.53) MAPTALDH1A1LMNAHPGDNPSR1

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-117362284-B Flumioxazin and its preparation method Process for the preparation of amines 厦门大学 2026-05-12 CN claimed
CN-117362284-A Preparation method of flumioxazin 厦门大学 2024-01-09 CN claimed
CN-117362284-B Flumioxazin and its preparation method Process for the preparation of amines 厦门大学 2026-05-12 CN disclosed
CN-117362284-A Preparation method of flumioxazin 厦门大学 2024-01-09 CN disclosed