SCHEMBL28425845

SCHEMBL28425845

Cc1cccc(-n2c3ccccc3c3ccccc32)c1Br

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.46
FTO Q9C0B1 1/20 0.46
ALDH1A1 P00352 5/20 0.43
HCAR1 Q9BXC0 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
GPR3 P46089 1/20 0.39
TSHR P16473 1/20 0.39
PDE7A Q13946 2/20 0.38
CYP2A6 P11509 2/20 0.38
CYP1A2 P05177 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL22931541 0.86 ALDH1A1 (0.50) ALKBH5FTOALDH1A1POLBL3MBTL1
SCHEMBL31532948 0.86 ALDH1A1 (0.50) ALKBH5FTOALDH1A1POLBL3MBTL1
SCHEMBL6552455 0.82 TSHR (0.53) ALKBH5FTOALDH1A1POLBL3MBTL1
SCHEMBL16520252 0.81 CYP1A2 (0.52) ALKBH5FTOALDH1A1POLBL3MBTL1
SCHEMBL20685525 0.81 ALKBH5 (0.48) ALKBH5FTOALDH1A1POLBL3MBTL1
SCHEMBL31365963 0.81 ALDH1A1 (0.46) ALKBH5FTOALDH1A1POLBL3MBTL1
SCHEMBL10029971 0.78 ALDH1A1 (0.50) ALKBH5FTOALDH1A1POLBL3MBTL1
SCHEMBL21076138 0.78 ALDH1A1 (0.43) ALDH1A1POLBL3MBTL1KDM4EATM
SCHEMBL5667124 0.78 ALDH1A1 (0.47) ALKBH5FTOALDH1A1POLBL3MBTL1
SCHEMBL22771502 0.78 ALDH1A1 (0.43) ALDH1A1HCAR1POLBL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108948056-B Thermal activation delayed fluorescent material based on aryl boron derivative and organic electroluminescent device 中国科学院福建物质结构研究所 2020-06-09 CN disclosed