SCHEMBL6163789

SCHEMBL6163789

CCOC(=O)c1c(-c2ccc(-c3ccccc3S(=O)(=O)NC(C)(C)C)cc2)c[nH]c1Cc1cccc(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
ALOX5AP P20292 7/20 0.37
FEN1 P39748 7/20 0.37
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
NAMPT P43490 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
SETD7 Q8WTS6 1/20 0.35
BRS3 P32247 1/20 0.35
MMP3 P08254 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
F10 P00742 1/20 0.34
USP30 Q70CQ3 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL6166329 0.92 ALOX5 (0.35) ALOX5TLR8TLR7MAPTMAPK1
SCHEMBL6165012 0.83 ALOX5 (0.42) ALOX5TLR8TLR7MAPTMAPK1
SCHEMBL6165006 0.81 ALOX5 (0.43) ALOX5TLR8TLR7MAPTMAPK1
SCHEMBL6162975 0.79 MAPK14 (0.44) ALOX5TLR8TLR7MAPTMAPK1
SCHEMBL7108632 0.78 RXFP1 (0.39) ALOX5APFEN1TLR8TLR7MMP3
SCHEMBL6166441 0.78 MMP2 (0.42) ALOX5TLR8TLR7MAPTMAPK1
SCHEMBL6163317 0.75 MAPT (0.56) ALOX5MAPTMAPK1SETD7SMN1; SMN2
SCHEMBL6162430 0.75 SMN1; SMN2 (0.60) ALOX5MAPTMAPK1SETD7SMN1; SMN2
SCHEMBL6167436 0.73 USP30 (0.55) USP30
SCHEMBL5885775 0.72 USP30 (0.37) ALOX5APFEN1MAPTMMP3GPR119

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
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO disclosed