SCHEMBL29078367

SCHEMBL29078367

O=[N+]([O-])c1ccc(CN2CCN(CCS(=O)(=O)Nc3ccc4ncccc4c3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
FAAH O00519 1/20 0.43
ACHE P22303 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CASP1 P29466 1/20 0.41
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 0.41
CCR2 P41597 1/20 0.41
HTR7 P34969 2/20 0.41
HTR6 P50406 2/20 0.41

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
SCHEMBL30585249 1.00 CHKA (0.47) CHKASMN1; SMN2GAAL3MBTL1HTT
SCHEMBL30585265 0.92 ALDH1A1 (0.45) CHKASMN1; SMN2L3MBTL1LMNAFAAH
SCHEMBL29078366 0.92 ALDH1A1 (0.45) CHKASMN1; SMN2L3MBTL1LMNAFAAH
SCHEMBL29078392 0.89 HTR7 (0.51) SMN1; SMN2LMNAALDH1A1HTR7HTR6
SCHEMBL30585255 0.89 HTR7 (0.51) SMN1; SMN2LMNAALDH1A1HTR7HTR6
SCHEMBL29078415 0.88 FAAH (0.50) CHKASMN1; SMN2LMNAFAAHACHE
SCHEMBL30585243 0.88 FAAH (0.50) CHKASMN1; SMN2LMNAFAAHACHE
SCHEMBL29078375 0.84 CHKA (0.50) CHKASMN1; SMN2LMNAFAAHACHE
SCHEMBL30585266 0.84 CHKA (0.50) CHKASMN1; SMN2LMNAFAAHACHE
SCHEMBL30585247 0.80 HTR7 (0.46) CHKASMN1; SMN2LMNAALDH1A1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116803981-A Piperazine-containing amide or sulfonamide anti-inflammatory compound and preparation method and application thereof 温州医科大学 2023-09-26 CN claimed
CN-116803981-A Piperazine-containing amide or sulfonamide anti-inflammatory compound and preparation method and application thereof 温州医科大学 2023-09-26 CN disclosed