SCHEMBL6166329

SCHEMBL6166329

CCOC(=O)c1c(-c2ccc(-c3cc(C)ccc3S(=O)(=O)NC(C)(C)C)cc2)c[nH]c1Cc1cccc(C#N)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.35
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
SETD7 Q8WTS6 1/20 0.34
USP30 Q70CQ3 1/20 0.34
CNR2 P34972 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
SGK1 O00141 1/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP13 P45452 1/20 0.33
BTK Q06187 2/20 0.33
THRB P10828 1/20 0.33
TBXA2R P21731 1/20 0.33
POLB P06746 1/20 0.32
IDH1 O75874 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
SCHEMBL6163789 0.92 ALOX5 (0.38) ALOX5MAPTMAPK1SETD7USP30
SCHEMBL6165012 0.82 ALOX5 (0.42) ALOX5MAPTMAPK1SETD7TLR8
SCHEMBL6165006 0.80 ALOX5 (0.43) ALOX5MAPTMAPK1SETD7TLR8
SCHEMBL7105798 0.79 POLB (0.37) USP30CNR2TLR8TLR7ADAMTS4
SCHEMBL6162975 0.77 MAPK14 (0.44) ALOX5MAPTMAPK1TLR8TLR7
SCHEMBL6166441 0.77 MMP2 (0.42) ALOX5MAPTMAPK1TLR8TLR7
SCHEMBL6163317 0.74 MAPT (0.56) ALOX5MAPTMAPK1SETD7POLB
Trifluoroacetic Acid SCHEMBL6165958 0.72 PRSS1 (0.46)
SCHEMBL6162430 0.72 SMN1; SMN2 (0.60) ALOX5MAPTMAPK1SETD7POLB
SCHEMBL7108632 0.71 RXFP1 (0.39) TLR8TLR7POLB

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