SCHEMBL7607568

SCHEMBL7607568

O=C(NNc1ccccc1)c1csc(-c2ccccc2OCc2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.53
TLR7 Q9NYK1 7/20 0.49
TDP1 Q9NUW8 2/20 0.49
SGMS2 Q8NHU3 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAPT P10636 2/20 0.43
ATM Q13315 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPY1R P25929 1/20 0.43

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) PTGER1TLR7TDP1MAPTATM
SCHEMBL7450591 0.92 PTGER1 (0.51) PTGER1TLR7TDP1HDAC1HDAC8
SCHEMBL7449173 0.92 PTGER1 (0.51) PTGER1TLR7TDP1SGMS2HDAC1
SCHEMBL7502192 0.88 PTGER1 (0.49) PTGER1TLR7TDP1HDAC1HDAC8
SCHEMBL7447138 0.87 PTGER1 (0.54) PTGER1TLR7TDP1HDAC1HDAC8
SCHEMBL6983082 0.87 PTGER1 (0.56) PTGER1TLR7TDP1HDAC1HDAC8
SCHEMBL7498276 0.87 TLR7 (0.54) PTGER1TLR7SGMS2
SCHEMBL7087561 0.84 PTGER1 (0.52) PTGER1TLR7HDAC1HDAC8HDAC6
SCHEMBL7503297 0.84 PTGER1 (0.48) PTGER1TLR7TDP1SGMS2HDAC1
SCHEMBL7381559 0.84 PTGER1 (0.61) PTGER1KDM4EALDH1A1

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