SCHEMBL30610303

SCHEMBL30610303

O=S(=O)(c1ccccc1Cl)N1CCNCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.66
CYP3A4 P08684 4/20 0.64
MAPK1 P28482 2/20 0.64
NFKB1 P19838 2/20 0.64
KMT2A Q03164 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP1A2 P05177 2/20 0.64
MEN1 O00255 1/20 0.64
TP53 P04637 1/20 0.64
CYP2D6 P10635 1/20 0.64
MYLK Q15746 1/20 0.64
MAPT P10636 3/20 0.62
LMNA P02545 2/20 0.62
GMNN O75496 1/20 0.62
PMP22 Q01453 1/20 0.62
HTR6 P50406 3/20 0.54
TSHR P16473 3/20 0.52
CHRM4 P08173 2/20 0.52
THPO P40225 1/20 0.52
HIF1A Q16665 1/20 0.52

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
SCHEMBL654111 1.00 USP2 (0.66) USP2CYP3A4MAPK1NFKB1KMT2A
SCHEMBL3244492 0.94 CYP3A4 (0.74) USP2CYP3A4MAPK1NFKB1KMT2A
SCHEMBL2959421 0.91 POLB (0.57) USP2CYP3A4MAPK1NFKB1KMT2A
SCHEMBL10723724 0.87 CHRM4 (0.64) CYP3A4MAPK1KMT2ACYP2C9MEN1
SCHEMBL7450856 0.83 CYP3A4 (0.58) USP2CYP3A4MAPK1NFKB1KMT2A
SCHEMBL31684034 0.81 TSHR (0.78) CYP3A4MAPK1KMT2ACYP2C9MEN1
SCHEMBL4555453 0.81 TSHR (0.78) CYP3A4MAPK1KMT2ACYP2C9MEN1
SCHEMBL10037158 0.81 USP2 (0.51) USP2CYP3A4MAPK1NFKB1KMT2A
SCHEMBL29764343 0.81 CYP3A4 (0.55) USP2CYP3A4MAPK1NFKB1KMT2A
SCHEMBL5352749 0.81 ALDH1A1 (0.67) USP2CYP3A4MAPK1NFKB1KMT2A

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
WO-2025078654-A1 ANTIBACTERIAL COMPOUNDS VEIRULENCE LTD (GB) 2025-04-17 WO disclosed
CN-119409667-A Dithioacetal derivative containing sulfonyl piperazine unit, and preparation method and application thereof 贵州大学 2025-02-11 CN disclosed
CN-117720528-A Oxadiazole sulfonamide compound containing pyrazole structure, and preparation method and application thereof 贵州大学 2024-03-19 CN disclosed
CN-112209910-B Myricetin derivative containing sulfonyl piperazine, preparation method and application 贵州大学 2023-10-17 CN disclosed