SCHEMBL24876006

SCHEMBL24876006

Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1SNc1ccc(Br)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.44
▸ GRIN2D O15399 3/20 0.44
▸ GRIN3B O60391 3/20 0.44
▸ GRIN1 Q05586 3/20 0.44
▸ GRIN2A Q12879 3/20 0.44
▸ GRIN2B Q13224 3/20 0.44
▸ GRIN2C Q14957 3/20 0.44
▸ GRIN3A Q8TCU5 3/20 0.44
▸ PKM P14618 3/20 0.41
▸ THRB P10828 1/20 0.41
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ MAPT P10636 5/20 0.36
▸ MEN1 O00255 6/20 0.36
▸ KMT2A Q03164 6/20 0.36
▸ HPGD P15428 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 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
SCHEMBL24876676 0.76 LMNA (0.38) LMNAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24876675 0.76 LMNA (0.38) LMNAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24876007 0.74 LMNA (0.80) LMNAPKMTHRBMAPTMEN1
SCHEMBL24876203 0.72 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24876267 0.69 KDM4E (0.37) LMNAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24876254 0.69 PDE3B (0.46) PKMGRIA1GRIA2GRIA3GRIA4
SCHEMBL24876758 0.67 LMNA (0.52) LMNAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24876374 0.67 LMNA (0.62) LMNAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24875986 0.66 GRIN2D (0.61) LMNAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5769722 0.64 GRIN2D (1.00) LMNAGRIN2DGRIN3BGRIN1GRIN2A

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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