SCHEMBL21758052

SCHEMBL21758052

CN(CC1CCN(c2ccc(N)cc2)CC1)c1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
GFER P55789 5/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RAD52 P43351 1/20 0.45
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 2/20 0.45
ADRA2C P18825 1/20 0.45
PTK2B Q14289 1/20 0.45
ESR2 Q92731 1/20 0.45
HRH3 Q9Y5N1 2/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 2/20 0.42
ALOX15 P16050 2/20 0.42
RECQL P46063 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 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
SCHEMBL23564136 0.86 HRH3 (0.44) MAPTGAAALDH1A1KMT2AHRH3
SCHEMBL3567979 0.86 MAPT (0.49) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL3440122 0.80 MAPT (0.50) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL9310257 0.79 MAPT (0.46) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL1789020 0.77 MAPT (0.58) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL3440736 0.77 MAPT (0.46) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL2608101 0.77 MAPT (0.53) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL3574974 0.76 MAPT (0.46) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL15651158 0.75 MAPT (0.52) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL25188789 0.74 MAPT (0.54) MAPTGFERKDM4EGAASMN1; SMN2

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
WO-2021060268-A1 LIQUID CRYSTAL ALIGNING AGENT FOR VERTICAL ALIGNMENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2021-04-01 WO disclosed
WO-2020040091-A1 LIQUID CRYSTAL ALIGNMENT AGENT, PRODUCTION METHOD THEREOF, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2020-02-27 WO disclosed