SCHEMBL29948882

SCHEMBL29948882

Brc1nc2ccccc2nc1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NQO2 P16083 8/20 0.48
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GLA P06280 1/20 0.43
ACHE P22303 1/20 0.43
PDPK1 O15530 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42

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
SCHEMBL1128076 1.00 MAPT (0.62) MAPTTDP1ALDH1A1HPGDKDM4E
SCHEMBL27833133 0.81 TDP1 (0.54) MAPTTDP1ALDH1A1HPGDKDM4E
SCHEMBL27883086 0.81 MAPT (0.48) MAPTTDP1ALDH1A1HPGDKDM4E
SCHEMBL31193292 0.81 TDP1 (0.54) MAPTTDP1ALDH1A1HPGDKDM4E
SCHEMBL3216083 0.81 MAPT (0.48) MAPTTDP1ALDH1A1HPGDKDM4E
SCHEMBL1128615 0.81 MAPT (0.67) MAPTTDP1ALDH1A1HPGDKDM4E
SCHEMBL3085978 0.81 TDP1 (0.67) MAPTTDP1ALDH1A1HPGDKDM4E
Phenazine SCHEMBL29356959 0.78 MAPT (1.00) MAPTTDP1ALDH1A1HPGDKDM4E
Phenazine SCHEMBL9049 0.78 MAPT (1.00) MAPTTDP1ALDH1A1HPGDKDM4E
Phenazine SCHEMBL27643128 0.78 MAPT (1.00) MAPTTDP1ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115028592-A Photochromic diaryl ethylene compound and preparation method and application thereof 济宁医学院 2022-09-09 CN claimed
CN-115260203-B Quinoxaline phenazine luminescent material and application thereof 浙江工业大学 2024-06-14 CN disclosed
CN-117430618-A Organic compound, application thereof and organic electroluminescent device 北京绿人科技有限责任公司 2024-01-23 CN disclosed
CN-117384185-A Organic compound, application thereof and organic electroluminescent device 北京绿人科技有限责任公司 2024-01-12 CN disclosed
CN-115028592-A Photochromic diaryl ethylene compound and preparation method and application thereof 济宁医学院 2022-09-09 CN disclosed