SCHEMBL30585263

SCHEMBL30585263

COc1ccc(CN2CCN(CCS(=O)(=O)NCc3ccccn3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ FAAH O00519 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MMP1 P03956 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP3 P08254 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ MMP14 P50281 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ LMNA P02545 1/20 0.47

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
SCHEMBL30585254 0.88 BCHE (0.49) SIGMAR1ACHEHTR1AHTR7
SCHEMBL30585267 0.82 L3MBTL1 (0.52) SMN1; SMN2FAAHACHEKMT2ALMNA
SCHEMBL29078387 0.80 SMN1; SMN2 (0.57) SMN1; SMN2FAAHACHEMEN1KMT2A
SCHEMBL30585245 0.78 L3MBTL1 (0.56) SIGMAR1SMN1; SMN2FAAHACHEMEN1
SCHEMBL29078397 0.78 ALDH1A1 (0.53) HTR1A
SCHEMBL26101473 0.75 RAB9A (0.58) SMN1; SMN2FAAHKMT2AMMP1MMP2
SCHEMBL29078375 0.75 CHKA (0.50) SIGMAR1SMN1; SMN2FAAHACHEHTR7
SCHEMBL30585266 0.75 CHKA (0.50) SIGMAR1SMN1; SMN2FAAHACHEHTR7
SCHEMBL30585253 0.73 TSHR (0.47) SIGMAR1SMN1; SMN2FAAHACHEKMT2A
SCHEMBL29078393 0.73 ACHE (0.53) SIGMAR1FAAHACHEMEN1KMT2A

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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