SCHEMBL5963645

SCHEMBL5963645

CCOC(=O)CC(Br)(Br)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
PPID Q08752 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
PIN1 Q13526 1/20 0.41
SRC P12931 1/20 0.41
CES1 P23141 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
SCHEMBL6401663 0.83 HSD11B1 (0.57) HSD11B1POLBNPSR1ALDH1A1MAPT
SCHEMBL28327257 0.76 CES1 (0.50) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5964070 0.76 CES1 (0.50) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL8679766 0.76 PIN1 (0.51) POLBNPSR1ALDH1A1MAPTMEN1
SCHEMBL28549853 0.76 SMN1; SMN2 (0.50) HSD11B1POLBALDH1A1MEN1KMT2A
SCHEMBL5856279 0.75 POLB (0.54) POLBNPSR1ALDH1A1MAPTMEN1
SCHEMBL5972813 0.74 SMN1; SMN2 (0.51) HSD11B1POLBALDH1A1MEN1KMT2A
SCHEMBL9437357 0.74 PIN1 (0.53) POLBNPSR1ALDH1A1MAPTMEN1
SCHEMBL5963640 0.73 POLB (0.64) POLBNPSR1ALDH1A1MAPTMEN1
SCHEMBL14319712 0.73 HSD11B1 (0.50) HSD11B1ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1143959-B1 ANTIFUNGAL ACTIVITY OF DICATIONIC MOLECULES UNIV NORTH CAROLINA (US) 2006-11-02 EP disclosed
EP-1685836-A2 Antifungal activity of dicationic molecules UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-08-02 EP disclosed
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-6326395-B1 AMIDINE OR AMIDE SUBSTITUTED FURAN DERIVATIVES DUKE UNIVERSITY 2001-12-04 US disclosed
EP-1143959-A2 ANTIFUNGAL ACTIVITY OF DICATIONIC MOLECULES UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2001-10-17 EP disclosed
WO-2000015212-A2 ANTIFUNGAL ACTIVITY OF DICATIONIC MOLECULES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-03-23 WO 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
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