SCHEMBL29149692

SCHEMBL29149692

O=S(=O)(/C=C\c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.64
EGFR P00533 1/20 0.59
NFE2L2 Q16236 9/20 0.52
PPARG P37231 6/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5572469 1.00 TLR9 (0.64) TLR9EGFRNFE2L2PPARGLMNA
SCHEMBL5572462 1.00 TLR9 (0.64) TLR9EGFRNFE2L2PPARGLMNA
SCHEMBL7896096 0.86 NFE2L2 (0.61) TLR9EGFRNFE2L2PPARGLMNA
SCHEMBL1195313 0.86 NFE2L2 (0.57) TLR9EGFRNFE2L2PPARG
SCHEMBL7905290 0.86 TLR9 (0.64) TLR9EGFRNFE2L2PPARGLMNA
SCHEMBL1194072 0.86 TLR9 (0.53) TLR9EGFRNFE2L2PPARGLMNA
SCHEMBL7896098 0.86 NFE2L2 (0.61) TLR9EGFRNFE2L2PPARGLMNA
SCHEMBL942513 0.86 TLR9 (0.64) TLR9EGFRNFE2L2PPARGLMNA
SCHEMBL1194075 0.86 TLR9 (0.53) TLR9EGFRNFE2L2PPARGLMNA
SCHEMBL7904296 0.86 NFE2L2 (0.61) TLR9EGFRNFE2L2LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116969868-A Synthesis method of allyl sulfonyl compound 南通大学 2023-10-31 CN disclosed