SCHEMBL30940490

SCHEMBL30940490

CS(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ENPP2 Q13822 2/20 0.43
PTGS2 P35354 10/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
PTGS1 P23219 2/20 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
SCHEMBL30856788 1.00 MEN1 (0.45) MEN1KMT2AENPP2PTGS2L3MBTL1
SCHEMBL29488687 0.78 PSIP1 (0.56) MEN1KMT2AL3MBTL1
SCHEMBL22518691 0.78 PSIP1 (0.56) MEN1KMT2AL3MBTL1
SCHEMBL9625997 0.77 TSHR (0.52) MEN1KMT2AL3MBTL1
SCHEMBL11664636 0.77 CA2 (0.52) MEN1KMT2A
SCHEMBL15550610 0.76 ENPP2 (0.52) ENPP2PTGS2
SCHEMBL18770137 0.72 MEN1 (0.38) MEN1KMT2AL3MBTL1
SCHEMBL25803446 0.72 ENPP2 (0.35) MEN1KMT2AENPP2PTGS2
SCHEMBL1272514 0.71 GPR84 (0.45) MEN1KMT2A
SCHEMBL27571145 0.71 KEAP1 (0.55) MEN1KMT2A

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-111315737-B Heteroaryl compounds substituted with sulfone pyridinylalkylamides 百时美施贵宝公司 2024-06-18 CN disclosed