SCHEMBL5582057

SCHEMBL5582057

C[Si](C)(C)[C@@H](CNC(=O)c1cccc(I)c1)C(=O)N(C#N)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53BP1 Q12888 1/20 0.39
HSD17B10 Q99714 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
GRM5 P41594 1/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ATM Q13315 1/20 0.34
MTOR P42345 1/20 0.34
NPC1 O15118 1/20 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
SCHEMBL5581290 0.83 CTSL (0.43) KMT2ACTSLCTSSPOLBKDM4E
SCHEMBL5582056 0.80 CTSB (0.39) TP53BP1KMT2AHDAC1HDAC2CTSL
SCHEMBL25976159 0.69 GAA (0.78) TP53BP1HSD17B10KMT2AGAAHDAC1
SCHEMBL5581496 0.68 HTT (0.42) SMN1; SMN2CTSLCTSS
SCHEMBL2290271 0.68 GAA (0.61) TP53BP1HSD17B10KMT2AGAAHDAC1
SCHEMBL6592939 0.67 CTSL (0.47) TP53BP1HSD17B10KMT2AGAAALDH1A1
SCHEMBL24990888 0.67 GAA (0.56) TP53BP1HSD17B10KMT2AGAAHDAC1
SCHEMBL3246370 0.65 MEN1 (0.59) TP53BP1KMT2AHDAC1HDAC2POLB
SCHEMBL1927576 0.65 L3MBTL1 (0.69) TP53BP1HSD17B10KMT2AGAAALDH1A1
SCHEMBL13381540 0.64 TP53BP1 (0.60) TP53BP1HSD17B10KMT2AGAAALDH1A1

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