SCHEMBL30743357

SCHEMBL30743357

Cc1ccc(S(=O)(=O)n2c(I)cc3nccc(C)c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 5/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ ALDH3A1 P30838 2/20 0.44
▸ NOD1 Q9Y239 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 2/20 0.39
▸ CXCL8 P10145 1/20 0.39
▸ NOD2 Q9HC29 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD11B1 P28845 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL30743526 0.78 ALDH3A1 (0.53) HTTL3MBTL1ALDH3A1NOD1POLB
SCHEMBL1749156 0.78 PTGDR2 (0.46) HTTL3MBTL1ALDH3A1NOD1POLB
SCHEMBL26623306 0.74 L3MBTL1 (0.38) HTTL3MBTL1ALDH3A1NOD1POLB
SCHEMBL30743569 0.73 L3MBTL1 (0.51) HTTL3MBTL1ALDH3A1NOD1POLB
SCHEMBL30743381 0.73 SCN9A (0.38) HTTALDH3A1ALDH1A1KDM4EMAPT
SCHEMBL1777233 0.72 PTGDR2 (0.42) HTTL3MBTL1ALDH3A1NOD1POLB
SCHEMBL1749021 0.71 PTGDR2 (0.44) HTTL3MBTL1ALDH3A1NOD1POLB
SCHEMBL30668854 0.71 PTGDR2 (0.44) HTTL3MBTL1ALDH3A1NOD1POLB
SCHEMBL1354451 0.71 PTGDR2 (0.44) HTTL3MBTL1ALDH3A1NOD1POLB
SCHEMBL13014031 0.71 PTGDR2 (0.44) HTTL3MBTL1ALDH3A1NOD1POLB

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
EP-4565584-A1 1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVES AS IRREVERSIBLE INHIBITORS OF MUTANT EGFR FOR THE TREATMENT OF CANCER Bayer Aktiengesellschaft (DE) 2025-06-11 — — EP disclosed
WO-2024028316-A1 1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVES AS IRREVERSIBLE INHIBITORS OF MUTANT EGFR FOR THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2024-02-08 — — WO disclosed
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