SCHEMBL7445338

SCHEMBL7445338

Cc1cccc(C(=O)NNC(=O)c2csc(-c3ccccc3OCc3ccccc3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
TLR7 Q9NYK1 8/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
KMT2A Q03164 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
SCHEMBL7447138 0.90 PTGER1 (0.54) PTGER1TLR7
SCHEMBL7452183 0.89 SMPD1 (0.54) PTGER1SMN1; SMN2TLR7KMT2A
SCHEMBL7447425 0.89 NPC1 (0.52) PTGER1SMN1; SMN2TLR7NPC1RAB9A
SCHEMBL7443767 0.84 PTGER1 (0.51) PTGER1SMN1; SMN2TLR7NPC1RAB9A
SCHEMBL7448167 0.83 PTGER1 (0.50) PTGER1SMN1; SMN2TLR7NPC1
SCHEMBL7087561 0.83 PTGER1 (0.52) PTGER1TLR7MAPT
SCHEMBL7448062 0.82 TLR7 (0.48) PTGER1TLR7NPC1RAB9APOLB
SCHEMBL7447783 0.82 PTGER1 (0.49) PTGER1TLR7
SCHEMBL6983082 0.81 PTGER1 (0.56) PTGER1TLR7MAPT
SCHEMBL7448360 0.81 TLR7 (0.50) PTGER1SMN1; SMN2TLR7NPC1RAB9A

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