SCHEMBL257149

SCHEMBL257149

Nc1ccc(N2CCc3cc(N)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
ATAD2 Q6PL18 1/20 0.42
MAPT P10636 9/20 0.41
ALDH1A1 P00352 6/20 0.41
GAA P10253 5/20 0.41
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 3/20 0.41
GFER P55789 3/20 0.41
PTK2B Q14289 2/20 0.41
ADRA2C P18825 1/20 0.41
ESR2 Q92731 1/20 0.41
RAD52 P43351 1/20 0.39
HSD17B10 Q99714 3/20 0.38
POLB P06746 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
THRB P10828 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL29756072 0.98 ATAD2 (0.44) DDB1CRBNATAD2MAPTALDH1A1
SCHEMBL28406633 0.93 ATAD2 (0.41) DDB1CRBNATAD2MAPTALDH1A1
SCHEMBL257151 0.89 PDK1 (0.45) ATAD2MAPTALDH1A1GAAKDM4E
SCHEMBL12283585 0.89 ALDH1A1 (0.49) DDB1CRBNATAD2MAPTALDH1A1
SCHEMBL29973320 0.89 ALDH1A1 (0.49) DDB1CRBNATAD2MAPTALDH1A1
SCHEMBL795312 0.86 ROCK1 (0.40) ATAD2MAPTALDH1A1KDM4EKMT2A
SCHEMBL12284123 0.85 MAPT (0.56) MAPTALDH1A1GAAKDM4EHSD17B10
SCHEMBL31413340 0.85 ATAD2 (0.39) DDB1CRBNATAD2MAPTALDH1A1
SCHEMBL21925176 0.85 ATAD2 (0.39) DDB1CRBNATAD2MAPTALDH1A1
SCHEMBL12283633 0.85 SRD5A1 (0.45) DDB1CRBNATAD2MAPTALDH1A1

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
CN-111095092-B Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal element JSR株式会社 2022-07-05 CN disclosed
WO-2012029763-A1 DIAMINE, POLYIMIDE PRECURSOR, POLYIMIDE, LIQUID-CRYSTAL ALIGNMENT MATERIAL, LIQUID-CRYSTAL ALIGNMENT FILM, AND LIQUID-CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2012-03-08 WO disclosed