SCHEMBL29136558

SCHEMBL29136558

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

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.38
TSHR P16473 2/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
KMO O15229 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
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 0.85 CHRM1 (0.37) CHRM1TSHRHTTPOLBKMO
SCHEMBL6724624 0.85 CHRM1 (0.37) CHRM1TSHRHTTPOLBKMO
SCHEMBL4683567 0.82 CHRM1 (0.37) CHRM1TSHRHTTPOLBCHRM5
SCHEMBL25359353 0.82 CHRM1 (0.35) CHRM1TSHRHTTPOLBKMO
SCHEMBL30194045 0.82 CHRM1 (0.35) CHRM1TSHRHTTPOLBKMO
SCHEMBL8916025 0.81 CHRM1 (0.37) CHRM1POLBKMOCHRM5CHRM3
SCHEMBL1276934 0.81 CHRM1 (0.37) CHRM1TSHRHTTPOLBKMO
SCHEMBL8598841 0.80 CHRM1 (0.36) CHRM1TSHRHTTPOLBKMO
SCHEMBL25358904 0.80 CHRM1 (0.34) CHRM1TSHRHTTPOLBKMO
SCHEMBL10653573 0.80 CHRM1 (0.36) CHRM1POLBKMOALDH1A1

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