SCHEMBL8536721

SCHEMBL8536721

c1coc(-c2ccc(C3=NCCN3)cc2)c1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 10/20 0.75
TOP2A P11388 5/20 0.65
TOP2B Q02880 5/20 0.65
ALDH1A1 P00352 1/20 0.62
CYP1A2 P05177 1/20 0.62
HPGD P15428 1/20 0.62
CASP1 P29466 1/20 0.62
CASP7 P55210 1/20 0.62
HSD17B10 Q99714 1/20 0.62
LMNA P02545 1/20 0.53
RECQL P46063 1/20 0.53
HTR1D P28221 1/20 0.50
ADRA1A P35348 1/20 0.50

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
Hydrochloric Acid SCHEMBL8537245 0.97 NISCH (0.71) NISCHTOP2ATOP2BALDH1A1CYP1A2
SCHEMBL8537923 0.90 TOP2A (0.67) NISCHTOP2ATOP2BALDH1A1CYP1A2
SCHEMBL8537360 0.89 TOP2A (0.68) NISCHTOP2ATOP2BALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL7748644 0.81 NISCH (0.61) NISCHTOP2ATOP2BALDH1A1CYP1A2
SCHEMBL5476725 0.80 NISCH (0.79) NISCHTOP2ATOP2BALDH1A1CYP1A2
SCHEMBL549282 0.79 TOP2A (1.00) NISCHTOP2ATOP2BALDH1A1CYP1A2
SCHEMBL8477719 0.76 NISCH (0.55) NISCHTOP2ATOP2BALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL7734250 0.76 TOP2A (0.96) NISCHTOP2ATOP2BALDH1A1CYP1A2
SCHEMBL6751823 0.75 TOP2A (0.63) NISCHTOP2ATOP2BALDH1A1CYP1A2
SCHEMBL8141372 0.74 NISCH (1.00) NISCHTOP2ATOP2BALDH1A1CYP1A2

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 2 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 disclosed
WO-1996040997-A1 METHOD OF FLUORESCENT DETECTION OF NUCLEIC ACIDS AND CYTOSKELETON ELEMENTS USING BIS-DICATIONIC ARYL FURANS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-12-19 WO disclosed