SCHEMBL24876607

SCHEMBL24876607

C#Cc1ccc(-c2ccc(N[S+]([O-])c3cc4[nH]c(=O)c(=O)[nH]c4cc3C)cc2C#C)cc1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.31
▸ GRIN3B O60391 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2A Q12879 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ GRIN2C Q14957 1/20 0.31
▸ GRIN3A Q8TCU5 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL24876279 0.77 LMNA (0.55) MEN1KMT2A
SCHEMBL31679880 0.77 LMNA (0.55) MEN1KMT2A
SCHEMBL31679871 0.71 LMNA (0.53) MEN1KMT2A
SCHEMBL24876267 0.68 KDM4E (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31680033 0.68 LMNA (0.54) MEN1KMT2A
SCHEMBL24876225 0.68 LMNA (0.54) MEN1KMT2A
SCHEMBL31679974 0.67 LMNA (0.56) MEN1KMT2A
SCHEMBL24876092 0.66 POLB (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24876238 0.65 PKM (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24876130 0.64 THRB (0.56) 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
WO-2023280970-A1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2023-01-12 — — WO disclosed
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