SCHEMBL28070263

SCHEMBL28070263

O=C=NCCCCCCN=C=O.O=C=Nc1cccc2c(N=C=O)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
ABCB11 O95342 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NR3C1 P04150 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ADRA2C P18825 1/20 0.34
MAOA P21397 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR2B P41595 1/20 0.34
CCR2 P41597 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KEAP1 Q14145 1/20 0.32

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
SCHEMBL3814088 0.98 CYP3A4 (0.47) CYP3A4GABRA1GABRB2ABCB11ALDH1A1
1,6-Hexanediol SCHEMBL7029490 0.91 CYP3A4 (0.39) CYP3A4GABRA1GABRB2MIF
SCHEMBL9195080 0.91 CYP3A4 (0.50) CYP3A4GABRA1GABRB2ABCB11ALDH1A1
Alpha-Naphthylisocyanate SCHEMBL28223340 0.86 CYP3A4 (0.45) CYP3A4ABCB11ALDH1A1NR3C1CYP1A2
1,6-Hexanediol SCHEMBL6849068 0.85 CYP3A4 (0.34) CYP3A4MIF
SCHEMBL719741 0.84 CYP3A4 (0.69) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL22210 0.82 CYP3A4 (0.62) CYP3A4GABRA1GABRB2ABCB11ALDH1A1
SCHEMBL29370250 0.82 CYP3A4 (0.62) CYP3A4GABRA1GABRB2ABCB11ALDH1A1
SCHEMBL9268593 0.81 CYP3A4 (0.65) CYP3A4GABRA1GABRB2MAOAKEAP1
SCHEMBL2140650 0.79 CYP3A4 (0.39) CYP3A4GABRA1GABRB2MAOAKEAP1

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-106661417-A Adhesive for solar-cell backsheet, polyol composition for solar-cell backsheet adhesive, solar-cell backsheet, and solar cell module DIC株式会社 2017-05-10 CN disclosed
CN-105647438-A Adhesive composition for polarizing plate, adhesive film for polarizing plate, polarizing plate and optical display 三星SDI株式会社 2016-06-08 CN disclosed