SCHEMBL825924

SCHEMBL825924

COCCOc1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.64
APP P05067 10/20 0.47
CHKA P35790 1/20 0.45
MAPT P10636 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MCL1 Q07820 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGES O14684 1/20 0.42
HDAC1 Q13547 1/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 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
SCHEMBL18102770 0.85 SLC2A1 (0.61) SLC2A1APPCHKAMAPTTSHR
SCHEMBL12589630 0.84 APP (0.62) SLC2A1APPCHKAMAPTTSHR
SCHEMBL19958268 0.84 APP (0.62) SLC2A1APPCHKAMAPTTSHR
SCHEMBL14948221 0.83 SLC2A1 (0.59) SLC2A1APPMAPTTSHRALDH1A1
SCHEMBL15432759 0.83 SLC2A1 (0.59) SLC2A1APPCHKAMAPTTSHR
SCHEMBL9626190 0.81 SLC2A1 (0.65) SLC2A1APPMAPTTSHRALDH1A1
SCHEMBL10875478 0.81 SLC2A1 (0.65) SLC2A1APPMAPTTSHRALDH1A1
SCHEMBL5011707 0.81 SLC2A1 (0.56) SLC2A1TSHRPTGESHDAC1GAA
SCHEMBL5007886 0.78 SLC2A1 (1.00) SLC2A1APPMAPTTSHRALDH1A1
SCHEMBL9627827 0.78 SLC2A1 (1.00) SLC2A1APPMAPTTSHRALDH1A1

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-2012003478-A2 DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY VENTANA MEDICAL SYSTEMS, INC. (US) 2012-01-05 WO disclosed