SCHEMBL5581797

SCHEMBL5581797

CCCCN(C(=O)[CH]C[Si](C)(C)C(N)=O)C(=O)c1nc2ccccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.46
CES1 P23141 2/20 0.46
HSF1 Q00613 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 2/20 0.38
F2 P00734 1/20 0.38
LMNA P02545 1/20 0.38
MIF P14174 1/20 0.38
DAGLA Q9Y4D2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
XDH P47989 3/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL5520519 0.94 FAAH (0.43) FAAHCES1HSF1NPC1RAB9A
SCHEMBL6048149 0.90 FAAH (0.48) FAAHCES1HSF1NPC1RAB9A
SCHEMBL5581813 0.87 FAAH (0.50) FAAHCES1HSF1KMT2AALDH1A1
SCHEMBL5581487 0.84 FAAH (0.45) FAAHCES1HSF1NPC1RAB9A
SCHEMBL14110504 0.81 FAAH (0.51) FAAHCES1HSF1RAB9AKMT2A
SCHEMBL6048183 0.80 KMT2A (0.39) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL6048156 0.78 HSF1 (0.39) FAAHCES1HSF1NPC1RAB9A
SCHEMBL7533229 0.75 FAAH (0.41) FAAHCES1HSF1NPC1RAB9A
SCHEMBL14110445 0.74 FAAH (0.47) FAAHCES1HSF1NPC1RAB9A
SCHEMBL5517452 0.73 FAAH (0.46) FAAHCES1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007519744-A 2007-07-19 JP claimed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP claimed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO claimed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP disclosed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO disclosed