SCHEMBL24876283

SCHEMBL24876283

C#Cc1cc(NSc2cc(N)c(N)cc2C)ccc1-c1ccc(C#N)cc1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 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
SCHEMBL24876267 0.69 KDM4E (0.37) —
SCHEMBL7110120 0.64 EGLN2 (0.43) —
SCHEMBL31679871 0.63 LMNA (0.53) —
SCHEMBL30494512 0.63 MMP3 (0.46) STS
SCHEMBL30153654 0.63 MMP3 (0.46) STS
SCHEMBL24876261 0.62 CA12 (0.33) STS
SCHEMBL5613947 0.62 STS (0.51) STS
SCHEMBL6011389 0.61 MMP3 (0.41) STS
SCHEMBL7634772 0.60 ALDH1A1 (0.48) —
SCHEMBL23624582 0.60 ALDH1A1 (0.54) STS

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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