SCHEMBL5503526

SCHEMBL5503526

O=C(O)Cn1c(Br)ccc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.59
ALDH1A1 P00352 8/20 0.59
HSD17B10 Q99714 8/20 0.59
HPGD P15428 5/20 0.59
L3MBTL1 Q9Y468 3/20 0.53
POLB P06746 3/20 0.51
GAA P10253 2/20 0.51
RECQL P46063 1/20 0.51
CASP6 P55212 1/20 0.51
BACE1 P56817 2/20 0.49
CTSD P07339 1/20 0.49
APEX1 P27695 4/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TSHR P16473 2/20 0.44
GLA P06280 2/20 0.44
RCE1 Q9Y256 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 2/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL4494789 0.87 KDM4E (0.69) KDM4EALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL8269666 0.79 KDM4E (0.46) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL8269516 0.77 ALDH1A1 (0.66) KDM4EALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL4491252 0.75 KDM4E (0.68) KDM4EALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL4479538 0.75 ALDH1A1 (0.55) KDM4EALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL4452759 0.75 ALDH1A1 (0.59) KDM4EALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL8269506 0.75 BACE1 (0.60) KDM4EALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL4483861 0.73 BACE1 (0.61) KDM4EALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL22769616 0.73 BACE1 (0.54) KDM4EALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL11272994 0.71 L3MBTL1 (0.53) KDM4EALDH1A1HSD17B10HPGDL3MBTL1

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-1848692-A1 AZOLYLACYLGUANIDINES AS ß-SECRETASE INHIBITORS Wyeth (US) 2007-10-31 EP disclosed
WO-2006088711-A1 AZOLYLACYLGUANIDINES AS β-SECRETASE INHIBITORS WYETH (US) 2006-08-24 WO disclosed