SCHEMBL30189616

SCHEMBL30189616

O=c1ccoc2cc(Br)cc(Br)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.40
MAOA P21397 6/20 0.40
FTO Q9C0B1 2/20 0.38
KCNA3 P22001 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALOX5 P09917 1/20 0.35
HSP90AA1 P07900 1/20 0.33
TLR9 Q9NR96 1/20 0.33
ACHE P22303 2/20 0.33
GRM5 P41594 1/20 0.33
CYP19A1 P11511 2/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
DYRK1A Q13627 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL27203827 0.81 MAOB (0.38) MAOBMAOAFTOKCNA3KDM4E
SCHEMBL16432225 0.71 CYP3A4 (0.35) MAOBMAOAFTOKCNA3KDM4E
SCHEMBL30189574 0.71 MAOB (0.41) MAOBMAOAFTOKCNA3KDM4E
SCHEMBL30771801 0.71 FTO (0.61) MAOBMAOAFTOKDM4EACHE
SCHEMBL2065762 0.71 FTO (0.61) MAOBMAOAFTOKDM4EACHE
SCHEMBL30771800 0.69 PTPN1 (0.47) MAOBMAOAFTOKDM4EHSP90AA1
SCHEMBL28387796 0.69 PTPRS (0.54) MAOBMAOAFTOKDM4EALOX5
SCHEMBL30189525 0.67 ALDH1A1 (0.35) MAOBMAOAFTOKCNA3KDM4E
SCHEMBL321544 0.67 MAOA (0.59) MAOBMAOAFTOKDM4EACHE
SCHEMBL30189618 0.65 CYP19A1 (0.50) MAOBMAOAFTOKDM4ECYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116023373-A Luminescent material, application thereof and organic electroluminescent device comprising luminescent material 清华大学 2023-04-28 CN disclosed
CN-115636819-A Luminescent material, application thereof and organic electroluminescent device comprising luminescent material 清华大学 2023-01-24 CN disclosed