SCHEMBL8629912

SCHEMBL8629912

CN1c2ccccc2Sc2c1cccc2C(C)(C)O[SiH2]C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
NOX1 Q9Y5S8 5/20 0.40
L3MBTL1 Q9Y468 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2B P41595 1/20 0.40
MAPT P10636 6/20 0.35
TDP1 Q9NUW8 3/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
BCHE P06276 3/20 0.34
ALDH1A1 P00352 6/20 0.34

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
SCHEMBL7431778 0.85 MAOA (0.42) MAOANOX1L3MBTL1MEN1KMT2A
SCHEMBL8633030 0.80 KDM4E (0.31) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL7395913 0.77 GAA (0.35) MEN1KMT2AADRA2ASLC6A2SLC6A4
SCHEMBL8630694 0.72 HPGD (0.35) MAOANOX1L3MBTL1MEN1KMT2A
SCHEMBL628362 0.69 MAOA (0.64) MAOANOX1L3MBTL1MEN1KMT2A
SCHEMBL7390458 0.68 PDF (0.39) MEN1KMT2AADRA2AADRA2BADRA2C
SCHEMBL27430518 0.68 MAOA (0.58) MAOANOX1L3MBTL1MEN1KMT2A
SCHEMBL7072232 0.67 MAOA (0.62) MAOANOX1L3MBTL1MEN1KMT2A
SCHEMBL231247 0.67 MAOA (1.00) MAOANOX1L3MBTL1MEN1KMT2A
SCHEMBL29377505 0.67 MAOA (1.00) MAOANOX1L3MBTL1MEN1KMT2A

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