SCHEMBL30286555

SCHEMBL30286555

COc1cc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)ccc1C#N

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 5/20 0.53
▸ IDH1 O75874 4/20 0.48
▸ TP53 P04637 2/20 0.47
▸ SGK1 O00141 2/20 0.46
▸ PPARG P37231 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ BRD4 O60885 1/20 0.45
▸ NR3C1 P04150 1/20 0.44
▸ PGR P06401 1/20 0.44
▸ NR3C2 P08235 1/20 0.44
▸ AR P10275 1/20 0.44
▸ HTR6 P50406 1/20 0.43
▸ ALPL P05186 1/20 0.42

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
SCHEMBL20354709 1.00 SLC22A12 (0.53) SLC22A12IDH1TP53SGK1PPARG
SCHEMBL20340723 0.86 SLC22A12 (0.50) SLC22A12IDH1SGK1PPARGCYP3A4
SCHEMBL20355144 0.86 SLC22A12 (0.58) SLC22A12SGK1PPARGCYP3A4BRD4
SCHEMBL30286540 0.85 SLC22A12 (0.41) SLC22A12TP53SGK1BRD4NR3C1
SCHEMBL20354708 0.85 SLC22A12 (0.41) SLC22A12TP53SGK1BRD4NR3C1
SCHEMBL20339069 0.82 MEN1 (0.42) SLC22A12TP53BRD4NR3C1PGR
SCHEMBL20339168 0.80 SGK1 (0.47) SLC22A12IDH1SGK1PPARGCYP3A4
SCHEMBL30286590 0.80 IDH1 (0.46) IDH1TP53BRD4ALPL
SCHEMBL20354858 0.80 IDH1 (0.46) IDH1TP53BRD4ALPL
SCHEMBL21545957 0.78 CES1 (0.47) IDH1SGK1HTR6

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
CN-110121499-B (aza) indole-, benzothiophene-and benzofuran-3-sulfonamides 优时比制药有限公司 2022-12-20 — — CN claimed
CN-116283712-A (aza) indole-, benzothiophene-and benzofuran-3-sulfonamides 优时比制药有限公司 2023-06-23 — — CN disclosed
CN-116036078-A (aza) indole-, benzothiophene-and benzofuran-3-sulfonamides 优时比制药有限公司 2023-05-02 — — CN disclosed
CN-110121499-B (aza) indole-, benzothiophene-and benzofuran-3-sulfonamides 优时比制药有限公司 2022-12-20 — — CN disclosed
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