SCHEMBL4598913

SCHEMBL4598913

O=C(O)CN(CC(=O)O)Cc1cc(CCc2ccc(N=C=S)cc2)cc(CN(CC(=O)O)CC(=O)O)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.50
HSD17B10 Q99714 1/20 0.41
TP53 P04637 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
ALOX12 P18054 1/20 0.36
KCNH2 Q12809 1/20 0.34
PPARG P37231 6/20 0.33
PPARA Q07869 6/20 0.33
CHRM1 P11229 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
OPRD1 P41143 1/20 0.33
MIF P14174 1/20 0.33
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL9356156 0.93 P2RY6 (0.46) P2RY6HSD17B10TP53CYP1A2CYP3A4
SCHEMBL8223778 0.88 P2RY6 (0.48) P2RY6HSD17B10TP53CYP1A2CYP3A4
SCHEMBL706823 0.82 HSD17B10 (0.41) P2RY6HSD17B10MIF
SCHEMBL9356167 0.82 P2RY6 (0.44) P2RY6HSD17B10TP53CYP1A2CYP3A4
SCHEMBL9278053 0.81 P2RY6 (0.52) P2RY6HSD17B10TP53CYP1A2CYP3A4
SCHEMBL24454437 0.79 P2RY6 (0.38) P2RY6HSD17B10TP53CYP1A2CYP3A4
SCHEMBL15630171 0.79 HSD17B10 (0.38) P2RY6HSD17B10TDP1
SCHEMBL15630169 0.79 HSD17B10 (0.38) P2RY6HSD17B10TDP1
SCHEMBL10535744 0.79 GFER (0.41) KCNH2
SCHEMBL13939569 0.79 FFAR1 (0.41) PPARGPPARATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381567-B2 Dissociative fluorescence enhancement assay WALLAC OY (FI) 2008-06-03 US disclosed
EP-1483582-B1 DISSOCIATIVE FLUORESCENCE ENHANCEMENT ASSAY WALLAC OY (FI) 2008-04-16 EP disclosed
US-7282581-B2 Oligonucleotide labeling reactants based on acyclonucleosides and conjugates derived thereof WALLAC OY (FI) 2007-10-16 US disclosed
US-7211440-B2 Dissociative fluorescence enhancement assay WALLAC OY (FI) 2007-05-01 US disclosed
US-20070015284-A1 Dissociative fluorescence enhancement assay HEMMILA ILKKA 2007-01-18 US disclosed
US-20030170907-A1 Dissociative fluorescence enhancement assay WALLAC OY (FI) 2003-09-11 US disclosed
EP-0298939-B1 Metal-chelating 2,6-disubstituted pyridine compounds and their use WALLAC OY (FI) 1994-01-12 EP disclosed
EP-0378652-A1 OLIGONUCLEOTIDE HYBRIDIZATION PROBES AND MEANS FOR THE SYNTHESIS OF THE MOST PREFERRED PROBES WALLAC OY (FI) 1990-07-25 EP disclosed
WO-1990000622-A1 OLIGONUCLEOTIDE HYBRIDIZATION PROBES AND MEANS FOR THE SYNTHESIS OF THE MOST PREFERRED PROBES WALLAC OY (FI) 1990-01-25 WO disclosed
EP-0298939-A1 Metal-chelating 2,6-disubstituted pyridine compounds and their use WALLAC OY (FI) 1989-01-11 EP disclosed