SCHEMBL28656122

SCHEMBL28656122

Clc1ccc2nc(Br)cc(Br)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
ACHE P22303 5/20 0.40
BCHE P06276 4/20 0.40
GRIN1 Q05586 4/20 0.40
GRIN2A Q12879 4/20 0.40
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
CYP2C9 P11712 1/20 0.39
CASP7 P55210 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR4A2 P43354 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
ESRRB O95718 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
SCHEMBL28130492 0.84 NT5E (0.46) ALDH1A1ACHEBCHEGRIN1GRIN2A
SCHEMBL2170302 0.84 POLB (0.47) ALDH1A1ACHEBCHEMAPK1NR4A2
SCHEMBL31252837 0.84 POLB (0.47) ALDH1A1ACHEBCHEMAPK1NR4A2
SCHEMBL28218711 0.81 ALDH1A1 (0.41) ALDH1A1ACHEBCHEGRIN1GRIN2A
SCHEMBL3266785 0.81 ACHE (0.45) ALDH1A1ACHEBCHEGRIN1GRIN2A
SCHEMBL17025693 0.79 SRD5A2 (0.46) ALDH1A1HPGDMAPK1SMN1; SMN2GAA
SCHEMBL31696102 0.77 NT5E (0.59) ALDH1A1ACHEBCHEGRIN1GRIN2A
SCHEMBL11830323 0.77 NT5E (0.59) ALDH1A1ACHEBCHEGRIN1GRIN2A
SCHEMBL29074153 0.77 MAPK1 (0.61) ALDH1A1HPGDMAPK1NPC1HTT
SCHEMBL5458882 0.76 LMNA (0.47) ALDH1A1ACHEBCHEGRIN1GRIN2A

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-119080843-A Organic luminescent material 北京夏禾科技有限公司 2024-12-06 CN disclosed
CN-113683643-B Organic luminescent material 北京夏禾科技有限公司 2024-10-15 CN disclosed
CN-113683643-A Organic luminescent material 北京夏禾科技有限公司 2021-11-23 CN disclosed