SCHEMBL28358787

SCHEMBL28358787

Brc1ccc(-c2ccccc2)c(I)c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPK1 P28482 3/20 0.48
ANPEP P15144 2/20 0.37
IL1RN P18510 1/20 0.37
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
BACE1 P56817 1/20 0.34
ALOX5 P09917 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
BCL2L1 Q07817 1/20 0.33
CYP2A6 P11509 1/20 0.33
PLK4 O00444 1/20 0.32
AURKA O14965 1/20 0.32
JAK2 O60674 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 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
SCHEMBL24839904 0.86 ALDH1A1 (0.46) ALDH1A1MAPK1BACE1ALOX5HSD17B10
SCHEMBL1229278 0.79 ALDH1A1 (0.54) ALDH1A1MAPK1ANPEPIL1RNERAP2
SCHEMBL30565749 0.79 ALDH1A1 (0.54) ALDH1A1MAPK1ANPEPIL1RNERAP2
SCHEMBL28928303 0.79 CYP2A6 (0.45) ALDH1A1MAPK1BACE1ALOX5HSD17B10
SCHEMBL30476139 0.79 CYP2A6 (0.45) ALDH1A1MAPK1BACE1ALOX5HSD17B10
SCHEMBL3360517 0.78 ALDH1A1 (0.47) ALDH1A1MAPK1BACE1ALOX5HSD17B10
Water SCHEMBL2802893 0.77 ALDH1A1 (0.52) ALDH1A1MAPK1ANPEPIL1RNERAP2
SCHEMBL9954989 0.77 ALDH1A1 (0.32) ALDH1A1MAPK1
SCHEMBL66940 0.76 ALDH1A1 (0.50) ALDH1A1MAPK1ANPEPIL1RNERAP2
SCHEMBL14882960 0.76 ALDH1A1 (0.62) ALDH1A1MAPK1BACE1CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110869353-B Organic electronic device comprising an organic semiconductor layer 诺瓦尔德股份有限公司 2023-08-15 CN disclosed
CN-113698396-B Thermal activation delay fluorescent material and application thereof 北京燕化集联光电技术有限公司 2023-06-30 CN disclosed
CN-113698396-A Thermal activation delayed fluorescent material and application thereof 北京燕化集联光电技术有限公司 2021-11-26 CN disclosed
CN-110869353-A Organic electronic device comprising an organic semiconductor layer 诺瓦尔德股份有限公司 2020-03-06 CN disclosed