SCHEMBL28670522

SCHEMBL28670522

CN(C)c1cccc2c(C(=O)Cl)cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
TSHR P16473 2/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA2 P00918 1/20 0.46
CHEK1 O14757 1/20 0.44
NEK2 P51955 1/20 0.44
LIMK1 P53667 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
F2 P00734 3/20 0.43

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
SCHEMBL4030721 0.89 MAPT (0.59) GAATSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL13486817 0.83 GAA (0.69) GAATSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL5236125 0.83 GAA (0.52) GAATSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL2153429 0.82 ALDH1A1 (0.52) TSHRALDH1A1CYP1A2L3MBTL1KMT2A
SCHEMBL456580 0.80 ALDH1A1 (0.69) GAATSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL27680096 0.79 GAA (0.52) GAATSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL1424233 0.79 GAA (0.47) GAATSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL8720110 0.77 CHEK1 (0.65) GAATSHRMAPTALDH1A1HTT
SCHEMBL28788237 0.75 CNR2 (0.49) GAATSHRHTTCA2CHEK1
SCHEMBL11552289 0.75 ALDH1A1 (0.54) GAATSHRMAPTALDH1A1POLB

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-115626894-B Lappaconitine derivative with analgesic activity, and preparation method and application thereof 西南交通大学 2025-04-18 CN disclosed
CN-115626894-A Lappaconitine derivative with analgesic activity and preparation method and application thereof 西南交通大学 2023-01-20 CN disclosed
CN-113105391-B Lappaconitine derivative with analgesic activity and preparation method and application thereof 西南交通大学 2022-12-16 CN disclosed
CN-113105391-A Lappaconitine derivative with analgesic activity and preparation method and application thereof 西南交通大学 2021-07-13 CN disclosed