SCHEMBL30684580

SCHEMBL30684580

O=S(=O)(Cl)c1c[nH]c2cc(Cl)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.51
ALDH1A1 P00352 1/20 0.49
NR4A2 P43354 1/20 0.46
POLB P06746 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
PARP1 P09874 1/20 0.43
IDO1 P14902 2/20 0.42
TRPV4 Q9HBA0 1/20 0.42
DAO P14920 1/20 0.42
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SLC6A4 P31645 2/20 0.41
DYRK1A Q13627 2/20 0.40
GSK3B P49841 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDO2 P48775 1/20 0.38
LMNA P02545 1/20 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
SCHEMBL17850497 1.00 GPR84 (0.51) GPR84ALDH1A1NR4A2POLBDUSP3
SCHEMBL21596979 0.84 GPR84 (0.50) GPR84ALDH1A1NR4A2POLBDUSP3
SCHEMBL5731140 0.84 GPR84 (0.50) GPR84ALDH1A1NR4A2POLBDUSP3
SCHEMBL30388498 0.84 GPR84 (0.54) GPR84ALDH1A1NR4A2POLBDUSP3
SCHEMBL20354730 0.81 MEN1 (0.47) NR4A2POLBDUSP3PTPN5PTPN11
SCHEMBL20355068 0.81 GPR84 (0.50) GPR84IDO1TDO2
SCHEMBL20339031 0.81 CYP2A6 (0.51) GPR84NR4A2IDO1SLC6A4GSK3B
SCHEMBL31507102 0.79 PARP1 (0.49) GPR84ALDH1A1POLBDUSP3PTPN5
SCHEMBL27040569 0.79 PARP1 (0.49) GPR84ALDH1A1POLBDUSP3PTPN5
SCHEMBL20355291 0.78 KIF11 (0.42) POLBDUSP3PTPN5PTPN11TRPV4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558497-A1 NOVEL ISOTHIAZOL-3-YL AND ISOXAZOL-3-YL SULFONAMIDE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2025-05-28 EP disclosed
EP-4558496-A1 NOVEL PYRIMIDINYL AND TRIAZINYL SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-05-28 EP disclosed
WO-2025038863-A1 INDOLE AND PYRROLOYPYRIDINE DERIVATIVES AS GPR17 MODULATORS BIOGEN MA INC. (US) 2025-02-20 WO disclosed
WO-2024017863-A1 NOVEL PYRIMIDINYL AND TRIAZINYL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-01-25 WO disclosed
WO-2024017855-A1 NOVEL ISOTHIAZOL-3-YL AND ISOXAZOL-3-YL SULFONAMIDE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2024-01-25 WO disclosed