SCHEMBL24876092

SCHEMBL24876092

Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1[S+]([O-])Nc1ccc(-c2cccc(N3CCC3)c2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 6/20 0.43
▸ MAPT P10636 5/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ SMPD1 P17405 2/20 0.43
▸ GBA1 P04062 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ CNR1 P21554 4/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ BLM P54132 1/20 0.32
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32

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
SCHEMBL31679842 0.79 LMNA (0.63) POLBMAPTMEN1KMT2ASMPD1
SCHEMBL24876379 0.78 LMNA (0.63) POLBMAPTMEN1KMT2ASMPD1
SCHEMBL31679936 0.78 LMNA (0.63) POLBMAPTMEN1KMT2ASMPD1
SCHEMBL31679964 0.74 LMNA (0.60) POLBMAPTMEN1KMT2ASMPD1
SCHEMBL24876074 0.74 LMNA (0.60) POLBMAPTMEN1KMT2ASMPD1
SCHEMBL31679833 0.72 LMNA (0.50) POLBMAPTMEN1KMT2ASMPD1
SCHEMBL24876599 0.72 LMNA (0.48) POLBMAPTMEN1KMT2ASMPD1
SCHEMBL31679983 0.72 LMNA (0.48) POLBMAPTMEN1KMT2ASMPD1
SCHEMBL24876238 0.67 PKM (0.34) MEN1KMT2APKMGRIN2DGRIN3B
SCHEMBL24876607 0.66 GRIN2D (0.31) MEN1KMT2AGRIN2DGRIN3BGRIN1

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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