SCHEMBL25150323

SCHEMBL25150323

CCO[S@@](=O)c1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 7/20 0.35
▸ KDM4E B2RXH2 5/20 0.35
▸ PSIP1 O75475 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ACHE P22303 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ NLRP3 Q96P20 1/20 0.31
▸ CXCL8 P10145 1/20 0.31

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
SCHEMBL30364576 1.00 L3MBTL1 (0.37) L3MBTL1ALDH1A1KDM4EPSIP1TDP1
SCHEMBL25150315 0.78 MAPT (0.39) L3MBTL1ALDH1A1TDP1SMN1; SMN2HPGD
SCHEMBL25149411 0.77 KMT2A (0.38) L3MBTL1ALDH1A1TDP1LMNAGAA
SCHEMBL25150332 0.76 CA1 (0.43) L3MBTL1ALDH1A1TDP1SMN1; SMN2CYP1A2
SCHEMBL25150289 0.74 GAA (0.35) L3MBTL1ALDH1A1GAASLC6A2SLC6A4
SCHEMBL30364535 0.74 GAA (0.35) L3MBTL1ALDH1A1GAASLC6A2SLC6A4
SCHEMBL2876561 0.71 TSHR (0.39) L3MBTL1ALDH1A1KDM4ETDP1NPC1
SCHEMBL30364333 0.71 TSHR (0.39) L3MBTL1ALDH1A1KDM4ETDP1NPC1
SCHEMBL25149290 0.71 TSHR (0.39) L3MBTL1ALDH1A1KDM4ETDP1NPC1
SCHEMBL28256735 0.71 TSHR (0.39) L3MBTL1ALDH1A1KDM4ETDP1NPC1

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
WO-2023063884-A2 GENERATION OF CHIRAL SULFINATE ESTERS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2023-04-20 — — WO disclosed
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