SCHEMBL8893093

SCHEMBL8893093

COc1ccc2[nH]c(C)c(CCON=C3CCSCC3)c2c1Cc1ccccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
SLC2A1 P11166 1/20 0.32
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8892692 0.89 PTGS2 (0.35) PTGS2PDE3BPDE3ASMN1; SMN2SLC2A1
SCHEMBL8643253 0.85 SLC2A1 (0.35) PTGS2SLC2A1MEN1KMT2A
SCHEMBL8892354 0.80 PTGS2 (0.36) PTGS2PDE3BPDE3ASMN1; SMN2SLC2A1
SCHEMBL8902224 0.79 PTGS2 (0.36) PTGS2PDE3BPDE3ASMN1; SMN2SLC2A1
SCHEMBL8891216 0.79 PTGS2 (0.37) PTGS2PDE3BPDE3ASMN1; SMN2SLC2A1
SCHEMBL8671630 0.79 PTGS2 (0.42) PTGS2PDE3BPDE3ASMN1; SMN2SLC2A1
SCHEMBL8891536 0.77 PTGS2 (0.34) PTGS2PDE3BPDE3ASMN1; SMN2ALDH1A1
SCHEMBL8893019 0.76 PTGS2 (0.35) PTGS2PDE3BPDE3ASMN1; SMN2ALDH1A1
SCHEMBL8890671 0.76 PTGS2 (0.35) PTGS2PDE3BPDE3ASMN1; SMN2ALDH1A1
SCHEMBL8642650 0.75 SLC2A1 (0.34) PTGS2SMN1; SMN2SLC2A1MAPTMEN1

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
WO-1997041100-A1 IMINOXY DERIVATIVES OF INDOLE AND INDENE COMPOUNDS AS INHIBITORS OF PROSTAGLANDIN BIOSYNTHESIS ABBOTT LABORATORIES (US) 1997-11-06 WO claimed
WO-1997041100-A1 IMINOXY DERIVATIVES OF INDOLE AND INDENE COMPOUNDS AS INHIBITORS OF PROSTAGLANDIN BIOSYNTHESIS ABBOTT LABORATORIES (US) 1997-11-06 WO disclosed