SCHEMBL8326252

SCHEMBL8326252

CCNC(=O)c1oc2ccccc2c1[Si](C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
GPR55 Q9Y2T6 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
AHR P35869 1/20 0.43
HCRTR1 O43613 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL8330984 0.77 KDM4E (0.44) NPC1RAB9ASMN1; SMN2GAAMAPK1
SCHEMBL8326263 0.76 BRD4 (0.41) NPC1RAB9ASMN1; SMN2GAARXFP1
SCHEMBL30753472 0.73 CYP2C19 (0.54) NPC1RAB9AGAAKDM4EHCRTR1
SCHEMBL8328519 0.70 PTGS2 (0.47) NPC1RAB9ASMN1; SMN2GAAHDAC1
SCHEMBL22846884 0.68 KDM4E (0.41) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL25463759 0.68 MAOB (0.63) NPC1RAB9AL3MBTL1
SCHEMBL9130415 0.68 LMNA (0.58) NPC1RXFP1LMNAKDM4EALDH1A1
SCHEMBL490183 0.68 TTR (0.63) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6240044 0.66 NPC1 (0.63) NPC1RAB9ASMN1; SMN2GAARXFP1
SCHEMBL9690609 0.66 GPR55 (0.64) NPC1RAB9ASMN1; SMN2GAARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994270-A CONTROLLING GAEUMANNOMYCES MONSANTO COMPANY (US) 1999-11-30 US disclosed
EP-0619297-B1 Fungicides for the control of take-all desease of plants MONSANTO CO (US) 1997-06-18 EP disclosed
EP-0619297-A1 Fungicides for the control of take-all desease of plants MONSANTO COMPANY (US) 1994-10-12 EP disclosed