SCHEMBL8892354

SCHEMBL8892354

COCC/C=N/OCCc1c(C)[nH]c2ccc(OC)c(Cc3ccccc3Cl)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.36
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.31
MAPT P10636 4/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
SLC2A1 P11166 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 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
SCHEMBL8902224 0.92 PTGS2 (0.36) PTGS2PDE3BPDE3ASMN1; SMN2MAPT
SCHEMBL8891216 0.92 PTGS2 (0.37) PTGS2PDE3BPDE3ASMN1; SMN2MAPT
SCHEMBL8891536 0.91 PTGS2 (0.34) PTGS2PDE3BPDE3ASMN1; SMN2ALDH1A1
SCHEMBL8893019 0.86 PTGS2 (0.35) PTGS2PDE3BPDE3ASMN1; SMN2MAPT
SCHEMBL8642031 0.85 SLC2A1 (0.35) PTGS2KMT2AMEN1SLC2A1TUBB4A
SCHEMBL8890671 0.85 PTGS2 (0.35) PTGS2PDE3BPDE3ASMN1; SMN2MAPT
SCHEMBL8892692 0.80 PTGS2 (0.35) PTGS2PDE3BPDE3ASMN1; SMN2MAPT
SCHEMBL8893093 0.80 PTGS2 (0.35) PTGS2PDE3BPDE3ASMN1; SMN2MAPT
SCHEMBL8671630 0.80 PTGS2 (0.42) PTGS2PDE3BPDE3ASMN1; SMN2MAPT
SCHEMBL8649358 0.79 TUBB4A (0.34) PTGS2ALDH1A1SLC2A1TUBB4ATUBB

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