SCHEMBL6989282

SCHEMBL6989282

O=Cc1ccccc1-c1cnns1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HTT P42858 4/20 0.43
HPGD P15428 3/20 0.43
GAA P10253 3/20 0.43
MAPT P10636 3/20 0.43
RUNX1 Q01196 2/20 0.43
CBFB Q13951 2/20 0.43
GFER P55789 2/20 0.43
LMNA P02545 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
XDH P47989 1/20 0.36
TRIM24 O15164 2/20 0.35
TRIM33 Q9UPN9 2/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL27879461 0.75 ALDH1A1 (0.40) ALDH1A1HTTHPGDGAAMAPT
SCHEMBL9135064 0.72 HPGD (0.67) ALDH1A1HTTHPGDGAAMAPT
SCHEMBL6993258 0.72 ALDH1A1 (0.47) ALDH1A1HTTHPGDGAAMAPT
SCHEMBL8461890 0.71 IDO1 (0.42) ALDH1A1LMNAKMT2AMEN1THRB
SCHEMBL249552 0.71 KMT2A (0.71) ALDH1A1HTTHPGDGAALMNA
SCHEMBL31175932 0.71 KMT2A (0.71) ALDH1A1HTTHPGDGAALMNA
SCHEMBL872856 0.69 ALDH1A1 (0.45) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL1094712 0.69 ALDH1A1 (0.45) ALDH1A1HTTHPGDGAAMAPT
SCHEMBL2659245 0.69 BCAT2 (0.49) ALDH1A1HTTHPGDGAAMAPT
SCHEMBL10546968 0.69 ALDH1A1 (0.49) ALDH1A1HTTHPGDGAAMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-1370538-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074752-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed