SCHEMBL5372913

SCHEMBL5372913

Nc1ccccc1Oc1cc(C#Cc2ccccc2)cc(Oc2ccccc2N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
RCE1 Q9Y256 1/20 0.50
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
APP P05067 1/20 0.41
TLR4 O00206 1/20 0.41
IKBKB O14920 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
SCHEMBL25135306 0.91 MEN1 (0.51) GAARCE1ALDH1A1MAPTNPC1
SCHEMBL29392357 0.83 GAA (0.67) GAARCE1ALDH1A1MAPTNPC1
SCHEMBL3684211 0.83 GAA (0.67) GAARCE1ALDH1A1MAPTNPC1
SCHEMBL13085869 0.79 APP (0.55) ALDH1A1MAPTNPC1KDM4ECYP1A2
SCHEMBL7061161 0.79 ALDH1A1 (0.66) GAARCE1ALDH1A1MAPTNPC1
SCHEMBL5872247 0.79 MAPT (0.50) GAAALDH1A1MAPTNPC1KDM4E
SCHEMBL12272893 0.77 MEN1 (0.62) GAAALDH1A1MAPTNPC1CYP3A4
SCHEMBL13085922 0.77 APP (0.57) ALDH1A1MAPTNPC1KDM4ECYP1A2
SCHEMBL24305820 0.77 MAPT (0.52) ALDH1A1MAPTNPC1KDM4ECYP1A2
SCHEMBL8837162 0.75 SRD5A2 (0.47) GAARCE1ALDH1A1MAPTNPC1

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
JP-2007297319-A 1,3-BIS(AMINOPHENOXY)-5-(PHENYLETHYNYL)BENZENE DERIVATIVE AND METHOD FOR PRODUCING THE SAME WAKAYAMA SEIKA KOGYO KK 2007-11-15 JP disclosed