SCHEMBL8630245

SCHEMBL8630245

CCCCCCN1c2cccc(C=O)c2Sc2c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cccc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 1/20 0.33
CDC25A P30304 11/20 0.32
CES1 P23141 2/20 0.32
SCN9A Q15858 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 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
SCHEMBL7386864 0.87 TLR8 (0.33) PDFCDC25AMEN1KMT2APPARG
SCHEMBL7429083 0.87 SMYD2 (0.30)
SCHEMBL7390456 0.86 PDF (0.39) PDFMEN1KMT2A
SCHEMBL7392958 0.84 CDC25A (0.39) CDC25ACES1
SCHEMBL8627860 0.82 MEN1 (0.31) MEN1KMT2A
SCHEMBL7394625 0.74 PDF (0.53) PDFCDC25ACES1
SCHEMBL8631941 0.73 PDF (0.33) PDFCDC25ACES1MEN1KMT2A
SCHEMBL875044 0.73 BACE1 (0.39) MEN1KMT2A
SCHEMBL8633026 0.72 BACE1 (0.40)
SCHEMBL7388124 0.72 SMYD2 (0.30)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811389-A INHIBITING PLATELET AGGREGATION; BLOOD DISORDERS HOFFMANN-LA ROCHE INC. (US) 1998-09-22 US disclosed
US-5811548-A USEFUL AS RESEARCH TOOLS IN THE DETERMINATION OF BIOLOGICALLY ACTIVE PEPTIDE SEQUENCES HOFFMANN-LA ROCHE INC. (US) 1998-09-22 US disclosed