SCHEMBL5491579

SCHEMBL5491579

CCCCc1c[nH]c(=O)nc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 14/20 0.44
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36
NOS2 P35228 1/20 0.34
CTRC Q99895 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL356158 0.95 TLR8 (0.45) TLR8
SCHEMBL356920 0.89 BACE1 (0.39) TLR8NOS2
SCHEMBL7597747 0.84 MPO (0.38) TLR8
SCHEMBL20165 0.83 DHFR (0.33)
SCHEMBL7607407 0.83 MPO (0.40) TLR8
SCHEMBL7599129 0.81 PNP (0.39)
SCHEMBL7602254 0.81 MPO (0.40) TLR8
SCHEMBL7607707 0.79 F13A1 (0.41) TLR8
SCHEMBL542389 0.79 PNP (0.37)
SCHEMBL20137346 0.77 ATAD2 (0.34)

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117444-A2 PROTEIN DETECTION BY APTAMERS HU YINGHE (US) 2007-10-18 WO disclosed
EP-1412378-A4 APTAMERS AND ANTIAPTAMERS UNISEARCH LTD (AU) 2006-09-20 EP disclosed
US-20050176940-A1 Aptamers and antiaptamers UNISEARCH LIMITED (AU) 2005-08-11 US disclosed
EP-1412378-A1 APTAMERS AND ANTIAPTAMERS Unisearch Limited, University of New South Wales (AU) 2004-04-28 EP disclosed
WO-2003002592-A1 APTAMERS AND ANTIAPTAMERS UNISEARCH LIMITED (AU) 2003-01-09 WO disclosed
US-5756291-A IDENTIFYING OLIGOMER SEQUENCES; QUALITATIVE ANALYSIS; ANALYSIS OF THROMBIN BY COMPLEXING GILEAD SCIENCES, INC. (US) 1998-05-26 US disclosed
WO-1996008559-A1 GLYCOSAMINOGLYCAN-DEGRADING ENZYME INHIBITION AND RESULTANT DISEASE THERAPIES CARDIAC CRC NOMINEES PTY. LTD. (AU) 1996-03-21 WO disclosed
EP-0572529-A1 APTAMER SPECIFIC FOR BIOMOLECULES AND METHOD OF MAKING GILEAD SCIENCES, INC. (US) 1993-12-08 EP disclosed
WO-1992014842-A1 APTAMERS SPECIFIC FOR THROMBIN AND METHODS OF USE GILEAD SCIENCES, INC. (US) 1992-09-03 WO disclosed
WO-1992014843-A1 APTAMER SPECIFIC FOR BIOMOLECULES AND METHOD OF MAKING GILEAD SCIENCES, INC. (US) 1992-09-03 WO disclosed
US-3935184-A Synthetic polyoxin type nucleosides SYNTEX (U.S.A.) INC. (US) 1976-01-27 US disclosed