SCHEMBL31539005

SCHEMBL31539005

COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3CC(=O)O)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
PKM P14618 6/20 0.60
ALDH1A1 P00352 4/20 0.60
LMNA P02545 2/20 0.58
NPC1 O15118 1/20 0.54
PKLR P30613 1/20 0.54
RAB9A P51151 1/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL31538995 0.88 LMNA (0.62) PKMALDH1A1LMNANPC1RAB9A
SCHEMBL31539004 0.85 MEN1 (0.59) PKMALDH1A1LMNAGAA
SCHEMBL31539003 0.83 ALDH1A1 (0.64) HTTALDH1A1
SCHEMBL31539002 0.80 KMT2A (0.52) HTTPKMLMNAGAA
SCHEMBL31538994 0.77 ALDH1A1 (0.67) ALDH1A1LMNA
SCHEMBL19858517 0.77 PKM (0.76) HTTPKMALDH1A1LMNANPC1
SCHEMBL18711921 0.74 PKM (0.76) HTTPKMALDH1A1LMNANPC1
SCHEMBL3818639 0.74 PKM (0.69) PKMALDH1A1LMNANPC1PKLR
SCHEMBL1722721 0.74 PKM (1.00) HTTPKMALDH1A1LMNANPC1
SCHEMBL31315853 0.74 PKM (1.00) HTTPKMALDH1A1LMNANPC1

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-119954744-B Aspirin-sulfonamide hybrid, and preparation method and application thereof 宁夏大学 2026-05-15 CN disclosed
CN-119954744-A Aspirin-sulfonamide hybrid, and preparation method and application thereof 宁夏大学 2025-05-09 CN disclosed