SCHEMBL6166090

SCHEMBL6166090

Cc1cc(-c2ccccc2-c2ccccc2S(C)(=O)=O)c(C(N)=O)c(-c2cccc(N)c2/C=N\O)n1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
BAZ2B Q9UIF8 2/20 0.32
BAZ2A Q9UIF9 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
BLM P54132 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
IKBKB O14920 2/20 0.32
ATR Q13535 1/20 0.32
BTK Q06187 1/20 0.31
BRD4 O60885 1/20 0.31
F2 P00734 2/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
KDM4E B2RXH2 2/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL6166097 0.93 IKBKB (0.38) ALOX5APFEN1IKBKBF2PRSS1
SCHEMBL7104633 0.73 F10 (0.46) MEN1KMT2ATP53ATRF2
SCHEMBL6164926 0.66 F10 (0.51) MEN1KMT2AATRF2PRSS1
SCHEMBL25439559 0.65 GAA (0.47) MEN1KMT2AALDH1A1IKBKBBRD4
SCHEMBL5734930 0.64 BAZ2B (0.41) ALOX5APFEN1BAZ2BBAZ2AALDH1A1
SCHEMBL3829742 0.61 BAZ2B (0.40) ALOX5APFEN1BAZ2BBAZ2AMEN1
SCHEMBL5724281 0.60 ALOX5AP (0.43) ALOX5APFEN1BAZ2BBAZ2ABRD9
SCHEMBL9862600 0.58 BAZ2B (0.42) ALOX5APFEN1BAZ2BBAZ2AALDH1A1
SCHEMBL5171111 0.58 BAZ2B (0.50) BAZ2BBAZ2AKMT2ABRD9BRD4
SCHEMBL15407008 0.58 MKNK1 (0.43) ALOX5APFEN1BAZ2BBAZ2ABRD9

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