SCHEMBL8539401

SCHEMBL8539401

c1ccc(-c2cc(C3=NCCCN3)co2)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 9/20 0.66
▸ GAA P10253 1/20 0.66
▸ TSHR P16473 1/20 0.66
▸ TOP2A P11388 6/20 0.55
▸ TOP2B Q02880 6/20 0.55
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ CASP1 P29466 1/20 0.52
▸ CASP7 P55210 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52

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
SCHEMBL8537356 0.96 NISCH (0.59) NISCHGAATSHRTOP2ATOP2B
SCHEMBL8536718 0.91 NISCH (0.64) NISCHGAATSHRTOP2ATOP2B
SCHEMBL6751839 0.82 TOP2A (0.66) NISCHGAATSHRTOP2ATOP2B
SCHEMBL6365864 0.81 NISCH (1.00) NISCHGAATSHRTOP2ATOP2B
SCHEMBL6751607 0.80 NISCH (0.51) NISCHGAATSHRTOP2ATOP2B
SCHEMBL6751823 0.77 TOP2A (0.63) NISCHTOP2ATOP2BALDH1A1CYP1A2
SCHEMBL14029044 0.76 NISCH (0.75) NISCHGAATSHRTOP2ATOP2B
SCHEMBL8537923 0.73 TOP2A (0.67) NISCHGAATSHRTOP2ATOP2B
SCHEMBL7578157 0.72 NISCH (0.80) NISCHGAATSHRTOP2ATOP2B
SCHEMBL7724230 0.71 TOP2A (1.00) NISCHGAATSHRTOP2ATOP2B

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 1 patent. 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
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