SCHEMBL7734235

SCHEMBL7734235

O=C(c1ccc(Br)cc1)C(Br)C(Br)C(=O)c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.56
▸ CES1 P23141 1/20 0.56
▸ CA1 P00915 2/20 0.52
▸ CA2 P00918 2/20 0.52
▸ CYP1A2 P05177 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ GSK3B P49841 5/20 0.48
▸ OGG1 O15527 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL5873189 0.87 CES2 (0.48) CES2CES1CA1CA2CYP1A2
SCHEMBL20159736 0.87 CES2 (0.48) CES2CES1CA1CA2CYP1A2
SCHEMBL2096724 0.85 GSK3B (0.64) CES2CES1CA1CA2CYP1A2
SCHEMBL5873117 0.82 LMNA (0.50) CES2CES1CA1CA2CYP1A2
SCHEMBL634337 0.81 CES2 (0.52) CES2CES1CA1CA2CYP1A2
SCHEMBL28646814 0.81 CES2 (0.52) CES2CES1CA1CA2CYP1A2
SCHEMBL20703078 0.81 CES2 (0.52) CES2CES1CA1CA2CYP1A2
SCHEMBL28636492 0.81 CES2 (0.52) CES2CES1CA1CA2CYP1A2
SCHEMBL1983194 0.81 CES2 (0.46) CES2CES1CA1CA2CYP1A2
SCHEMBL29003581 0.80 CES2 (0.56) CES2CES1CA1CA2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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-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
Send feedback