SCHEMBL3826587

SCHEMBL3826587

CC(=O)OS(=O)(=N[Si](C)(C)C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 1/20 0.38
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 3/20 0.36
LMNA P02545 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 2/20 0.35
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34
PTPN11 Q06124 1/20 0.34
HSD11B1 P28845 2/20 0.34
HTT P42858 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
SCHEMBL9400175 0.76 CA1 (0.42) KMT2ALMNATDP1MAPTALDH1A1
SCHEMBL722599 0.72 BCAT1 (0.46) BCAT1KMT2ALMNATDP1MAPT
SCHEMBL31215190 0.72 BCAT1 (0.46) BCAT1KMT2ALMNATDP1MAPT
Water SCHEMBL27820714 0.71 BCAT1 (0.44) BCAT1KMT2ALMNATDP1MAPT
SCHEMBL6261806 0.71 BCAT1 (0.44) BCAT1KMT2ALMNATDP1MAPT
SCHEMBL106041 0.70 BCAT1 (0.42) BCAT1KMT2AKDM4ELMNATDP1
SCHEMBL9456389 0.70 NR1I2 (0.38) KMT2APOLBLMNATDP1ALDH1A1
SCHEMBL3830874 0.69 BCAT1 (0.47) BCAT1KMT2APOLBLMNAALDH1A1
SCHEMBL3830877 0.69 BCAT1 (0.47) BCAT1KMT2APOLBLMNAALDH1A1
SCHEMBL835147 0.69 ALDH1A1 (0.44) POLBKDM4ELMNATDP1MAPT

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-2099757-A2 SULFOXIMINES AS KINASE INHIBITORS Allergan, Inc. (US) 2009-09-16 EP disclosed
WO-2008061236-A2 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2008-05-22 WO disclosed