SCHEMBL28530865

SCHEMBL28530865

N#CNc1ccccc1.[Cu]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
TDP1 Q9NUW8 4/20 0.43
HSD17B10 Q99714 3/20 0.43
CTSD P07339 1/20 0.43
TSHR P16473 4/20 0.41
PTGS2 P35354 2/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR2B P41595 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IDO1 P14902 2/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
Benzene SCHEMBL28295973 0.97 ALDH1A1 (0.45) ALDH1A1TDP1HSD17B10CTSDTSHR
Water SCHEMBL11606806 0.97 ALDH1A1 (0.45) ALDH1A1TDP1HSD17B10CTSDTSHR
Water SCHEMBL11606809 0.97 ALDH1A1 (0.45) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL1259441 0.97
SCHEMBL9853603 0.94 ALDH1A1 (0.43) ALDH1A1TDP1HSD17B10CTSDTSHR
Hydrochloric Acid SCHEMBL27825197 0.94 ALDH1A1 (0.43) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL228320 0.94 ALDH1A1 (0.43) ALDH1A1TDP1HSD17B10CTSDTSHR
Hydrogen Sulfide SCHEMBL28113733 0.94 ALDH1A1 (0.43) ALDH1A1TDP1HSD17B10CTSDTSHR
SCHEMBL5026944 0.82 DHODH (0.43) ALDH1A1TDP1HSD17B10MAPK1CYP3A4
SCHEMBL8985134 0.82 ALDH1A1 (0.32) ALDH1A1CYP1A2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112490383-A Red light OLED device with integrated hole injection layer having light coupling enhancement and carrier transmission balance and preparation method thereof 上海大学 2021-03-12 CN claimed
CN-112510164-A Blue light OLED based on solvent vapor phase processing hole injection layer and preparation method thereof 上海大学 2021-03-16 CN disclosed
CN-112490383-A Red light OLED device with integrated hole injection layer having light coupling enhancement and carrier transmission balance and preparation method thereof 上海大学 2021-03-12 CN disclosed