SCHEMBL8537360

SCHEMBL8537360

c1coc(-c2ccc(C3=NCCCCN3)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.68
TOP2B Q02880 6/20 0.68
NISCH Q9Y2I1 8/20 0.59
GAA P10253 1/20 0.54
TSHR P16473 1/20 0.54
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TAAR1 Q96RJ0 1/20 0.42
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL8537923 0.95 TOP2A (0.67) TOP2ATOP2BNISCHGAATSHR
SCHEMBL8536721 0.89 NISCH (0.75) TOP2ATOP2BNISCHALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL8537245 0.86 NISCH (0.71) TOP2ATOP2BNISCHALDH1A1CYP1A2
SCHEMBL549191 0.81 TOP2A (1.00) TOP2ATOP2BNISCHGAATSHR
Hydrochloric Acid SCHEMBL7734128 0.80 TOP2A (1.00) TOP2ATOP2BNISCHGAATSHR
SCHEMBL6751839 0.78 TOP2A (0.66) TOP2ATOP2BNISCHGAATSHR
SCHEMBL13327264 0.76 NISCH (0.81) TOP2ATOP2BNISCHGAATSHR
SCHEMBL5441899 0.76 NISCH (0.59) TOP2ATOP2BNISCHGAATSHR
SCHEMBL7724230 0.76 TOP2A (1.00) TOP2ATOP2BNISCHGAATSHR
SCHEMBL5333970 0.75 TOP2A (0.57) TOP2ATOP2BNISCHGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723288-A Method of fluorescent detection of nucleic acids and cytoskeleton elements using bis-dicationic aryl furans, and kits useful therefor THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-03-03 US claimed
US-5723288-A Method of fluorescent detection of nucleic acids and cytoskeleton elements using bis-dicationic aryl furans, and kits useful therefor THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-03-03 US disclosed
US-5723288-A Method of fluorescent detection of nucleic acids and cytoskeleton elements using bis-dicationic aryl furans, and kits useful therefor THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-03-03 US disclosed