SCHEMBL7828483

SCHEMBL7828483

CCN(CC)C(=O)c1sc([Si](C)(C)C)cc1[Si](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 10/20 0.39
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CRHR1 P34998 1/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HPGD P15428 6/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7827771 0.80 CD274 (0.37) CD274HTTALDH1A1MAPTL3MBTL1
SCHEMBL7836721 0.80 CD274 (0.37) CD274HTTALDH1A1MAPTL3MBTL1
SCHEMBL4079731 0.74 HPGD (0.40) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7218104 0.73 HTT (0.44) CD274HTTALDH1A1MAPTL3MBTL1
SCHEMBL7217103 0.65 HPGD (0.56) ALDH1A1MAPTL3MBTL1CRHR1NPC1
SCHEMBL7219269 0.65 HPGD (0.49) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL7219512 0.65 HPGD (0.49) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL7739083 0.65 TP53 (0.50) ALDH1A1MAPTL3MBTL1MAPK1TP53
SCHEMBL7865799 0.64 CRHR1 (0.34) HTTALDH1A1CRHR1NPC1RAB9A
SCHEMBL7217511 0.62 SMN1; SMN2 (0.43) ALDH1A1MAPTL3MBTL1CRHR1NPC1

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
EP-0538231-B1 Fungicides for the control of take-all disease of plants MONSANTO CO (US) 2001-06-13 EP claimed
EP-0538231-B1 Fungicides for the control of take-all disease of plants MONSANTO CO (US) 2001-06-13 EP disclosed