SCHEMBL4302912

SCHEMBL4302912

O=C(OBr)c1ccc2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.61
KDM4E B2RXH2 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CNR2 P34972 3/20 0.56
HDAC8 Q9BY41 1/20 0.56
MAPT P10636 6/20 0.54
ALDH1A1 P00352 4/20 0.54
GAA P10253 2/20 0.54
KMT2A Q03164 2/20 0.54
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
HPGD P15428 2/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL3954441 0.85 MGAM (0.66) MGAMKDM4ESMN1; SMN2CNR2HDAC8
SCHEMBL6955948 0.83 MGAM (0.63) MGAMKDM4ESMN1; SMN2CNR2HDAC8
SCHEMBL5176927 0.83 MGAM (0.63) MGAMKDM4ESMN1; SMN2CNR2HDAC8
SCHEMBL725183 0.81 MGAM (0.61) MGAMKDM4ESMN1; SMN2CNR2HDAC8
SCHEMBL4606005 0.81 MGAM (0.61) MGAMKDM4ESMN1; SMN2CNR2HDAC8
SCHEMBL30208641 0.81 MGAM (0.61) MGAMKDM4ESMN1; SMN2CNR2HDAC8
SCHEMBL28908992 0.81 MAPT (0.61) MGAMKDM4ESMN1; SMN2CNR2HDAC8
SCHEMBL28990407 0.81 MGAM (0.61) MGAMKDM4ESMN1; SMN2CNR2HDAC8
Hydrochloric Acid SCHEMBL16793838 0.80 MGAM (0.59) MGAMKDM4ESMN1; SMN2CNR2HDAC8
Boric Acid SCHEMBL8722291 0.80 MGAM (0.59) MGAMKDM4ESMN1; SMN2CNR2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079307-A2 FARNESOID X RECEPTOR AGONISTS SmithKline Beecham Corporation (US) 2009-07-22 EP disclosed
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP disclosed
WO-2008051942-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-02 WO disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO disclosed