SCHEMBL8630694

SCHEMBL8630694

CN1c2ccccc2Sc2c(CN3C(=O)c4ccc(C(C)(C)O[SiH2]C(C)(C)C)cc4C3=O)cccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
THRB P10828 1/20 0.32
MAOA P21397 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
NOX1 Q9Y5S8 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 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
SCHEMBL8632480 0.90 HPGD (0.34) HPGDNPSR1MEN1KMT2ALMNA
SCHEMBL7395913 0.81 GAA (0.35) MEN1KMT2ALMNAADRA2ASLC6A2
SCHEMBL8631945 0.79 PDF (0.34) NPSR1MEN1KMT2ALMNAADRA2A
SCHEMBL8630691 0.79 PDCD1 (0.35) HPGDNPSR1MEN1KMT2ALMNA
SCHEMBL8632477 0.77 PDCD1 (0.35) MEN1KMT2ALMNATHRBPDCD1
SCHEMBL8702342 0.76 MEN1 (0.32) HPGDNPSR1MEN1KMT2ALMNA
SCHEMBL7398242 0.76 GAA (0.33) MEN1KMT2ALMNAADRA2ASLC6A2
SCHEMBL8629912 0.72 MAOA (0.46) HPGDMEN1KMT2ALMNAMAOA
SCHEMBL7395911 0.70 RECQL (0.36) HPGDMEN1KMT2ALMNAADRA2A
SCHEMBL7398238 0.68 GAA (0.34) MEN1KMT2ALMNAADRA2ASLC6A2

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
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