SCHEMBL28639880

SCHEMBL28639880

COCCOCCN(CCOCCOC)c1ccc(-c2ccc(N)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.43
CYP3A4 P08684 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 3/20 0.43
PSMD14 O00487 1/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
GFER P55789 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 2/20 0.35
CA2 P00918 1/20 0.35
ESRRG P62508 1/20 0.35
ALOX15 P16050 1/20 0.34
TAAR1 Q96RJ0 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PPARG P37231 1/20 0.30
PHLPP2 Q6ZVD8 1/20 0.30
APP P05067 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL7763544 0.95 TDP1 (0.47) TDP1CYP3A4ALDH1A1MAPK1PSMD14
SCHEMBL9191740 0.87 ALDH1A1 (0.56) TDP1CYP3A4ALDH1A1MAPK1PSMD14
SCHEMBL11649109 0.87 ALDH1A1 (0.56) TDP1CYP3A4ALDH1A1MAPK1PSMD14
SCHEMBL994614 0.84 TDP1 (0.54) TDP1CYP3A4ALDH1A1MAPK1PSMD14
SCHEMBL13958424 0.82 TDP1 (0.48) TDP1CYP3A4ALDH1A1MAPK1PSMD14
SCHEMBL31123215 0.80 TDP1 (0.41) TDP1CYP3A4ALDH1A1MAPK1PSMD14
SCHEMBL24770500 0.78 APP (0.49) TDP1CYP3A4ALDH1A1MAPK1PSMD14
SCHEMBL6285267 0.78 APP (0.49) TDP1CYP3A4ALDH1A1MAPK1PSMD14
SCHEMBL16391104 0.78 CYP3A4 (0.52) TDP1CYP3A4ALDH1A1MAPK1PSMD14
SCHEMBL13972790 0.78 CYP3A4 (0.55) TDP1CYP3A4ALDH1A1MAPK1PSMD14

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-113461550-B Compound and intermediate thereof and application of compound and intermediate thereof in organic electroluminescent device 阜阳欣奕华材料科技有限公司 2024-04-12 CN disclosed
CN-113461549-B Compound and intermediate thereof and application of compound and intermediate thereof in organic electroluminescent device 阜阳欣奕华材料科技有限公司 2024-04-12 CN disclosed
CN-113461549-A Compound and intermediate thereof, and application of compound and intermediate in organic electroluminescent device 北京欣奕华科技有限公司 2021-10-01 CN disclosed
CN-113461550-A Compound and intermediate thereof, and application of compound and intermediate in organic electroluminescent device 北京欣奕华科技有限公司 2021-10-01 CN disclosed