SCHEMBL7502192

SCHEMBL7502192

O=C(NNc1cnc2ccccc2c1)c1csc(-c2ccccc2OCc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.49
TLR7 Q9NYK1 5/20 0.43
KDR P35968 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NOTUM Q6P988 1/20 0.40
HDAC6 Q9UBN7 3/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 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
SCHEMBL7607568 0.88 PTGER1 (0.53) PTGER1TLR7MAPTSMN1; SMN2PTGER4
SCHEMBL7449173 0.84 PTGER1 (0.51) PTGER1TLR7MAPTSMN1; SMN2TDP1
SCHEMBL7449280 0.84 PTGER1 (0.53) PTGER1TLR7NPC1RAB9AMAPT
SCHEMBL7503297 0.83 PTGER1 (0.48) PTGER1TLR7NPC1RAB9ANFKB1
SCHEMBL7507448 0.83 PTGER1 (0.46) PTGER1TLR7SMN1; SMN2PTGER4PTGER3
SCHEMBL7450591 0.82 PTGER1 (0.51) PTGER1TLR7NPC1RAB9AMAPT
SCHEMBL7513824 0.80 PTGER1 (0.47) PTGER1TLR7SMN1; SMN2PTGER4PTGER3
SCHEMBL7447138 0.80 PTGER1 (0.54) PTGER1TLR7TDP1HDAC6HDAC1
SCHEMBL6983082 0.80 PTGER1 (0.56) PTGER1TLR7MAPTPTGER4PTGER3
SCHEMBL7498276 0.80 TLR7 (0.54) PTGER1TLR7PRKD3PRKCGPRKCB

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