SCHEMBL7446264

SCHEMBL7446264

CCc1ccccc1C(=O)NNC(=O)c1csc(-c2ccccc2OCc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.50
PTGER1 P34995 5/20 0.49
NPC1 O15118 1/20 0.46
OPRK1 P41145 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGER4 P35408 3/20 0.43
PTGER3 P43115 3/20 0.43
PTGER2 P43116 3/20 0.43
SGMS2 Q8NHU3 2/20 0.42

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
SCHEMBL7449277 0.93 PTGER1 (0.47) TLR7PTGER1NPC1OPRK1KMT2A
SCHEMBL7449236 0.91 PTGER1 (0.46) TLR7PTGER1NPC1OPRK1KMT2A
SCHEMBL7448167 0.89 PTGER1 (0.50) TLR7PTGER1NPC1SGMS2
SCHEMBL7448360 0.89 TLR7 (0.50) TLR7PTGER1NPC1KMT2ASGMS2
SCHEMBL7549322 0.86 PTGER1 (0.49) TLR7PTGER1NPC1SGMS2
SCHEMBL7447138 0.85 PTGER1 (0.54) TLR7PTGER1
SCHEMBL7445698 0.84 PTGER1 (0.45) TLR7PTGER1KMT2APTGER4PTGER3
SCHEMBL7453282 0.84 PTGER1 (0.46) TLR7PTGER1NPC1PTGER4PTGER3
SCHEMBL6983082 0.82 PTGER1 (0.56) TLR7PTGER1PTGER4PTGER3PTGER2
SCHEMBL7444514 0.82 PTGER1 (0.48) TLR7PTGER1NPC1PTGER4PTGER3

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 claimed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO claimed