SCHEMBL31469872

SCHEMBL31469872

C=C(OS(=O)(=O)c1ccc(F)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
PTGS2 P35354 1/20 0.42
HSD11B1 P28845 2/20 0.41
PKM P14618 2/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PLA2G7 Q13093 1/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39

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
SCHEMBL31469869 0.88 KDM4E (0.42) KMT2AHSD11B1
SCHEMBL31469853 0.83 TDP1 (0.49) KMT2AMEN1PTGS2HSD11B1NPC1
SCHEMBL31469864 0.83 MAPT (0.41) KMT2AMEN1HSD11B1NPC1RAB9A
SCHEMBL18214394 0.83 RECQL (0.47) KMT2AMEN1PTGS2POLB
SCHEMBL29046723 0.81 NPC1 (0.51) KMT2AMEN1PTGS2HSD11B1PKM
SCHEMBL31469868 0.81 CES2 (0.49) KMT2AMEN1PTGS2HSD11B1PKM
SCHEMBL31469860 0.78 LMNA (0.48) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL778435 0.74 LMNA (0.39) KMT2AMEN1POLBF2
Potassium Ion SCHEMBL28576058 0.73 CA2 (0.35) PTGS2F2
SCHEMBL28565663 0.73 CA2 (0.40) PTGS2F2

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-119710735-A Method for electrochemically synthesizing vinyl sulfonate compound 广西师范大学 2025-03-28 CN disclosed