SCHEMBL14728822

SCHEMBL14728822

COc1ccc(/C=N/c2ccc(Br)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
S100B P04271 1/20 0.45
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PTGS2 P35354 3/20 0.41
PTGS1 P23219 2/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PAX8 Q06710 1/20 0.40
PKM P14618 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40

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
SCHEMBL14728791 0.83 PKM (0.54) GAAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL14728818 0.81 MEN1 (0.39) APPGAAL3MBTL1ALDH1A1MEN1
SCHEMBL14728836 0.80 KMT2A (0.44) L3MBTL1ALDH1A1MEN1KMT2APTGS2
SCHEMBL14728838 0.79 MAPT (0.54) GAAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL20871770 0.76 S100B (0.70) APPGAAL3MBTL1S100BALDH1A1
SCHEMBL28112599 0.76 S100B (0.70) APPGAAL3MBTL1S100BALDH1A1
SCHEMBL14728840 0.73 MAOB (0.43) APPL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL14728827 0.73 KMT2A (0.41) GAAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL10733285 0.69 S100B (0.82) GAAL3MBTL1S100BALDH1A1MEN1
SCHEMBL10412841 0.69 S100B (0.82) GAAL3MBTL1S100BALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013026357-A1 PREPARATION METHOD OF IMIDAZOLE DERIVATIVES 北京欧博方医药科技有限公司 (CN) 2013-02-28 WO disclosed