SCHEMBL29137699

SCHEMBL29137699

Brc1cccc2c(I)c3ccccc3cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
HSD17B10 Q99714 5/20 0.41
HIF1A Q16665 2/20 0.41
CYP1B1 Q16678 1/20 0.41
SLC9A1 P19634 1/20 0.35
CYP1A2 P05177 6/20 0.34
HPGD P15428 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 2/20 0.34
ERBB2 P04626 1/20 0.34
FYN P06241 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
AHR P35869 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
TRPM4 Q8TD43 1/20 0.33
PRNP P04156 1/20 0.33
CYP2A6 P11509 2/20 0.32
BACE1 P56817 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
SCHEMBL2222268 0.80 ALDH1A1 (0.55) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL21763554 0.79 ALDH1A1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL21409508 0.79 ALDH1A1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1SLC9A1
SCHEMBL1133128 0.78 ALDH1A1 (0.50) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL2227885 0.78 ALDH1A1 (0.43) ALDH1A1HSD17B10HIF1ACYP1B1SLC9A1
SCHEMBL29971666 0.78 ALDH1A1 (0.43) ALDH1A1HSD17B10HIF1ACYP1B1SLC9A1
SCHEMBL18548885 0.77 ALDH1A1 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1SLC9A1
SCHEMBL2407961 0.76 ALDH1A1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1SLC9A1
SCHEMBL29388401 0.76 ALDH1A1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1SLC9A1
SCHEMBL20726219 0.76 ALDH1A1 (0.56) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2

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-117384126-A Benzoanthracene xanthene compound, intermediate, organic electroluminescent device and display device 阜阳欣奕华材料科技有限公司 2024-01-12 CN disclosed
CN-117384127-A Benzoanthracene xanthene compound, organic electroluminescent device and display device 阜阳欣奕华材料科技有限公司 2024-01-12 CN disclosed