SCHEMBL7724230

SCHEMBL7724230

c1cc(-c2ccc(-c3ccc(C4=NCCCN4)cc3)o2)ccc1C1=NCCCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 1.00
TOP2B Q02880 6/20 1.00
ALDH1A1 P00352 1/20 0.71
CYP1A2 P05177 1/20 0.71
HPGD P15428 1/20 0.71
CASP1 P29466 1/20 0.71
CASP7 P55210 1/20 0.71
HSD17B10 Q99714 1/20 0.71
NISCH Q9Y2I1 7/20 0.64
GAA P10253 1/20 0.62
TSHR P16473 1/20 0.62
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL549191 0.95 TOP2A (1.00) TOP2ATOP2BALDH1A1CYP1A2HPGD
Hydrochloric Acid SCHEMBL7734128 0.93 TOP2A (1.00) TOP2ATOP2BALDH1A1CYP1A2HPGD
SCHEMBL549282 0.89 TOP2A (1.00) TOP2ATOP2BALDH1A1CYP1A2HPGD
SCHEMBL13327264 0.87 NISCH (0.81) TOP2ATOP2BNISCHGAATSHR
Hydrochloric Acid SCHEMBL7734250 0.86 TOP2A (0.96) TOP2ATOP2BALDH1A1CYP1A2HPGD
SCHEMBL8537923 0.80 TOP2A (0.67) TOP2ATOP2BALDH1A1CYP1A2HPGD
SCHEMBL11462790 0.78 NISCH (1.00) TOP2ATOP2BNISCHGAATSHR
SCHEMBL4035056 0.78 NISCH (0.68) TOP2ATOP2BNISCHGAATSHR
SCHEMBL31249900 0.78 NISCH (0.68) TOP2ATOP2BNISCHGAATSHR
SCHEMBL2513540 0.78 NISCH (0.68) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3098545-B2 2000-10-16 JP claimed
EP-0758453-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) 1997-02-19 EP claimed
WO-1995030901-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) 1995-11-16 WO claimed
EP-0792271-B1 FURAN DERIVATIVES FOR INHIBITING PNEUMOCYSTIS CARINII PNEUMONIA, GIARDIA LAMBLIA AND CRYPTOSPORIDIUM PARVUM UNIV GEORGIA STATE RES FOUND (US) 2002-02-27 EP disclosed
US-5667975-A Method of fluorescent detection of nucleic acids and cytoskeleton elements using bis-dicationic aryl furans THE UNIVERSITY OF NORTH CAROLINA 1997-09-16 US disclosed
EP-0792271-A1 FURAN DERIVATIVES FOR INHIBITING PNEUMOCYSTIS CARINII PNEUMONIA, GIARDIA LAMBLIA AND CRYPTOSPORIDIUM PARVUM GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1997-09-03 EP disclosed
EP-0758453-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) 1997-02-19 EP disclosed
US-5602172-A USING A 2,5-DIPHENYLFURAN COMPOUND THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-02-11 US disclosed
US-5594138-A MEDICAL DIAGNOSIS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 1997-01-14 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
WO-1996015126-A1 FURAN DERIVATIVES FOR INHIBITING PNEUMOCYSTIS CARINII PNEUMONIA, GIARDIA LAMBLIA AND CRYPTOSPORIDIUM PARVUM GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1996-05-23 WO disclosed
WO-1995030901-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) 1995-11-16 WO disclosed