SCHEMBL7734040

SCHEMBL7734040

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 3/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
GSK3B P49841 2/20 0.47
PKM P14618 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL29114074 0.94 KMT2A (0.58) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL4226890 0.92 KMT2A (0.53) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL3032065 0.88 KMT2A (0.49) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL973673 0.84 KMT2A (0.69) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL12265856 0.81 KMT2A (0.51) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL8532867 0.81 KMT2A (0.60) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL3030211 0.80 KMT2A (0.58) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL29114079 0.80 MAPT (0.53) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL3022185 0.79 L3MBTL1 (0.45) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL1747970 0.78 KMT2A (0.59) KMT2AMEN1NPC1MAPTALDH1A1

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
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-5602172-A USING A 2,5-DIPHENYLFURAN COMPOUND THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-02-11 US disclosed