SCHEMBL5216616

SCHEMBL5216616

CC[Si](C)(C)c1cccc(Oc2ccoc2C(N)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDR P35968 10/20 0.35
FLT1 P17948 8/20 0.35
USP2 O75604 1/20 0.34
ICAM1 P05362 3/20 0.34
SELE P16581 3/20 0.34
TNKS O95271 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP14 Q460N5 1/20 0.33
PARP10 Q53GL7 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
F2 P00734 1/20 0.32

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
SCHEMBL5224162 0.87 KMT2A (0.38) KMT2AMEN1NPC1MAPTRAB9A
SCHEMBL3972807 0.75 CTNNB1 (0.54) KMT2AMEN1NPC1MAPTRAB9A
SCHEMBL78647 0.74 KMT2A (0.58) KMT2AMEN1MAPTPARP1
SCHEMBL5224774 0.67 MAPK8 (0.33) KDR
SCHEMBL6632075 0.61 PARP1 (0.50) NPC1MAPTRAB9APARP1
SCHEMBL79324 0.61 ALDH1A1 (0.44) SMN1; SMN2
SCHEMBL8723541 0.61 ALDH1A1 (0.41) KMT2AMEN1NPC1MAPTRAB9A
SCHEMBL5228810 0.60 DRD1 (0.32)
SCHEMBL5225862 0.60 CCNC (0.32)
SCHEMBL78769 0.59 KMT2A (0.66) KMT2AMEN1MAPTPARP1

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-1824863-A1 SILICON COMPOUNDS AND THEIR USE Takeda Cambridge Limited (GB) 2007-08-29 EP disclosed
WO-2006064277-A1 SILICON COMPOUNDS AND THEIR USE TAKEDA CAMBRIDGE LIMITED (GB) 2006-06-22 WO disclosed