SCHEMBL7450591

SCHEMBL7450591

O=C(NNc1ccc(Oc2ccccc2)cc1)c1csc(-c2ccccc2OCc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.51
GALR3 O60755 1/20 0.46
TLR7 Q9NYK1 6/20 0.44
CHEK1 O14757 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 2/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 1/20 0.40
MCL1 Q07820 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL7449280 0.94 PTGER1 (0.53) PTGER1TLR7TDP1MAPTNPY1R
SCHEMBL7607568 0.92 PTGER1 (0.53) PTGER1TLR7TDP1MAPTNPY1R
SCHEMBL7447783 0.89 PTGER1 (0.49) PTGER1GALR3TLR7HDAC1HDAC8
SCHEMBL7449173 0.88 PTGER1 (0.51) PTGER1TLR7TDP1MAPTATM
SCHEMBL7447935 0.88 PTGER1 (0.44) PTGER1GALR3TLR7MAPTRAB9A
SCHEMBL7447932 0.83 PTGER1 (0.43) PTGER1TLR7CHEK1LMNA
SCHEMBL7443767 0.82 PTGER1 (0.51) PTGER1TLR7MAPTL3MBTL1RAB9A
SCHEMBL7502192 0.82 PTGER1 (0.49) PTGER1TLR7TDP1MAPTL3MBTL1
SCHEMBL7447138 0.82 PTGER1 (0.54) PTGER1TLR7TDP1HDAC1HDAC8
SCHEMBL6983082 0.82 PTGER1 (0.56) PTGER1TLR7TDP1MAPTNPSR1

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
EP-0977743-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-02-09 EP disclosed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO disclosed