SCHEMBL20128406

SCHEMBL20128406

Nc1ccc(N2CCN(c3ccc(N)c(CO)c3)CC2)cc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PRKDC P78527 1/20 0.40
IP6K1 Q92551 1/20 0.39
GAA P10253 3/20 0.38
RAD52 P43351 1/20 0.38
MAPT P10636 5/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
PTK2B Q14289 1/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 5/20 0.36
S100B P04271 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL3346858 0.82 GAA (0.43) IP6K1GAARAD52MAPTMAPK1
SCHEMBL12357055 0.82 GAA (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL10061499 0.79 KDM4E (0.61) GAARAD52MAPTMAPK1HTT
SCHEMBL3197069 0.79 MAPT (0.61) GAARAD52MAPTMAPK1HTT
SCHEMBL3310366 0.77 GFER (0.59) IP6K1GAAMAPTMAPK1HTT
SCHEMBL30724195 0.77 GAA (0.66) GAARAD52MAPTMAPK1HTT
SCHEMBL3208009 0.76 PRKDC (0.63) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL16640696 0.74 HTR7 (0.43) GAARAD52MAPTMAPK1HTT
SCHEMBL17265650 0.73 GAA (0.56) IP6K1GAARAD52MAPTMAPK1
Hydrochloric Acid SCHEMBL4438793 0.69 MAPT (0.55) GAARAD52MAPTMAPK1HTT

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
US-20180127655-A1 LIQUID CRYSTAL ALIGNING AGENTS FOR FORMING PHOTO-ALIGNING LIQUID CRYSTAL ALIGNMENT LAYERS, LIQUID CRYSTAL ALIGNMENT LAYERS AND LIQUID CRYSTAL DISPLAY DEVICES USING THE SAME JNC CORPORATION (JP) 2018-05-10 US disclosed