SCHEMBL7447138

SCHEMBL7447138

O=C(NNC(=O)c1csc(-c2ccccc2OCc2ccccc2)n1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.54
TLR7 Q9NYK1 12/20 0.53
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PRKD3 O94806 1/20 0.45
PRKCG P05129 1/20 0.45
PRKCB P05771 1/20 0.45
IL1R1 P14778 1/20 0.45
PRKCA P17252 1/20 0.45
TNFRSF1A P19438 1/20 0.45
PRKCH P24723 1/20 0.45
PRKCI P41743 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCZ Q05513 1/20 0.45
PRKCD Q05655 1/20 0.45
PRKD1 Q15139 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44

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
SCHEMBL7443767 0.93 PTGER1 (0.51) PTGER1TLR7HDAC1HDAC8HDAC6
SCHEMBL7447783 0.92 PTGER1 (0.49) PTGER1TLR7HDAC1HDAC8HDAC6
SCHEMBL7452183 0.91 SMPD1 (0.54) PTGER1TLR7
SCHEMBL7445338 0.90 PTGER1 (0.50) PTGER1TLR7
SCHEMBL7448062 0.90 TLR7 (0.48) PTGER1TLR7HDAC1HDAC8HDAC6
SCHEMBL7503159 0.89 MAPT (0.51) PTGER1TLR7HDAC1HDAC8HDAC6
SCHEMBL6983082 0.88 PTGER1 (0.56) PTGER1TLR7HDAC1HDAC8HDAC6
SCHEMBL7447425 0.88 NPC1 (0.52) PTGER1TLR7TDP1
SCHEMBL7087561 0.88 PTGER1 (0.52) PTGER1TLR7HDAC1HDAC8HDAC6
SCHEMBL7607568 0.87 PTGER1 (0.53) PTGER1TLR7HDAC1HDAC8HDAC6

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