SCHEMBL30585245

SCHEMBL30585245

O=[N+]([O-])c1cccc(CN2CCN(CCS(=O)(=O)NCc3ccccn3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MAPK1 P28482 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ FAAH O00519 1/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ACHE P22303 1/20 0.43
▸ GSK3B P49841 1/20 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
SCHEMBL30585267 0.89 L3MBTL1 (0.52) L3MBTL1ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL30585254 0.84 BCHE (0.49) L3MBTL1ALDH1A1KDM4EPOLBSIGMAR1
SCHEMBL29078428 0.82 CYP1A2 (0.57) L3MBTL1CYP1A2CYP3A4ALDH1A1KDM4E
SCHEMBL30585257 0.82 CYP1A2 (0.57) L3MBTL1CYP1A2CYP3A4ALDH1A1KDM4E
SCHEMBL30585250 0.81 LMNA (0.54) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL30205256 0.81 MYD88 (0.62) L3MBTL1CYP3A4ALDH1A1TDP1MEN1
SCHEMBL28954884 0.81 MYD88 (0.62) L3MBTL1CYP3A4ALDH1A1TDP1MEN1
SCHEMBL30585263 0.78 SIGMAR1 (0.50) MEN1KMT2ASMN1; SMN2LMNASIGMAR1
SCHEMBL29078366 0.78 ALDH1A1 (0.45) L3MBTL1ALDH1A1KDM4ETDP1MEN1
SCHEMBL30585265 0.78 ALDH1A1 (0.45) L3MBTL1ALDH1A1KDM4ETDP1MEN1

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
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