SCHEMBL30286523

SCHEMBL30286523

O=S(=O)(Nc1ccc2nsnc2c1)c1c[nH]c2c1ccc1ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.52
▸ PTPN5 P54829 6/20 0.41
▸ PTPN2 P17706 5/20 0.41
▸ PTPN1 P18031 5/20 0.41
▸ HTR6 P50406 4/20 0.41
▸ HSPD1 P10809 2/20 0.41
▸ HSPE1 P61604 2/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ DUSP3 P51452 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ HTT P42858 2/20 0.38

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
SCHEMBL20355336 1.00 EDNRA (0.52) EDNRAPTPN5PTPN2PTPN1HTR6
SCHEMBL20340306 0.83 ACLY (0.44) EDNRACASP6CTDSP1MAPT
SCHEMBL30286450 0.83 ACLY (0.44) EDNRACASP6CTDSP1MAPT
SCHEMBL30286476 0.79 MAPT (0.55) PTPN5DUSP3CASP6PTPN11CTDSP1
SCHEMBL20355042 0.79 MAPT (0.55) PTPN5DUSP3CASP6PTPN11CTDSP1
SCHEMBL30388425 0.79 EDNRA (0.44) EDNRAPTPN5PTPN2PTPN1HSPD1
SCHEMBL20354809 0.79 EDNRA (0.44) EDNRAPTPN5PTPN2PTPN1HSPD1
SCHEMBL20355348 0.79 EDNRA (0.47) EDNRAPTPN5PTPN2PTPN1HSPD1
SCHEMBL30286661 0.79 EDNRA (0.47) EDNRAPTPN5PTPN2PTPN1HSPD1
SCHEMBL20354798 0.77 MEN1 (0.46) EDNRAMAPT

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
Send feedback