SCHEMBL7449446

SCHEMBL7449446

CCCCc1ccccc1NNC(=O)c1csc(-c2ccccc2OCc2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 7/20 0.45
TLR7 Q9NYK1 5/20 0.41
PTGER4 P35408 6/20 0.41
PTGER3 P43115 6/20 0.41
PTGER2 P43116 6/20 0.41
ACHE P22303 2/20 0.40
SCD O00767 3/20 0.39
BRD4 O60885 1/20 0.39
MAOA P21397 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
SCHEMBL7449102 0.94 PTGER1 (0.46) PTGER1TLR7PTGER4PTGER3PTGER2
SCHEMBL7449236 0.88 PTGER1 (0.46) PTGER1TLR7PTGER4PTGER3PTGER2
SCHEMBL7505365 0.86 PTGER1 (0.41) PTGER1TLR7PTGER4PTGER3PTGER2
SCHEMBL7449277 0.82 PTGER1 (0.47) PTGER1TLR7PTGER4PTGER3PTGER2
SCHEMBL7607568 0.81 PTGER1 (0.53) PTGER1TLR7PTGER4PTGER3PTGER2
SCHEMBL7446264 0.81 TLR7 (0.50) PTGER1TLR7PTGER4PTGER3PTGER2
SCHEMBL7512520 0.80 PTGER1 (0.42) PTGER1TLR7PTGER4PTGER3PTGER2
SCHEMBL7513283 0.80 SMN1; SMN2 (0.50) PTGER1TLR7PTGER4PTGER3PTGER2
SCHEMBL7442407 0.79 PTGER1 (0.43) PTGER1TLR7PTGER4PTGER3PTGER2
SCHEMBL7448062 0.79 TLR7 (0.48) PTGER1TLR7SCD

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