SCHEMBL17265652

SCHEMBL17265652

CCCOc1cc(N2CCN(c3ccc(N)c(OCCC)c3)CC2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.49
RAD52 P43351 2/20 0.49
MAPT P10636 6/20 0.46
KDM4E B2RXH2 4/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
MAPK1 P28482 3/20 0.45
RECQL P46063 1/20 0.45
PTK2B Q14289 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL12312297 0.94 MAPT (0.55) GAARAD52MAPTKDM4EHTT
SCHEMBL17265647 0.92 CYP1A2 (0.51) GAARAD52MAPTKDM4EHTT
SCHEMBL17264111 0.90 LGMN (0.43) GAARAD52MAPTKDM4EHTT
SCHEMBL16752968 0.88 ALK (0.52) GAAMAPTKDM4EHTTMEN1
SCHEMBL15358735 0.87 MAPT (0.58) GAARAD52MAPTKDM4EHTT
SCHEMBL28007209 0.84 GAA (0.51) GAARAD52MAPTKDM4EHTT
SCHEMBL16640693 0.84 GAA (0.58) GAARAD52MAPTKDM4EHTT
SCHEMBL25199961 0.84 LGMN (0.40) GAARAD52MAPTKDM4EHTT
SCHEMBL18447001 0.83 GAA (0.41) GAARAD52MAPTKDM4EHTT
SCHEMBL309973 0.83 L3MBTL3 (0.49) GAAMAPTHTTMEN1ALDH1A1

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
US-20150329781-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2015-11-19 US disclosed
US-20150329781-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2015-11-19 US disclosed