SCHEMBL30834993

SCHEMBL30834993

Brc1cccc(-c2cccc(Br)c2OCc2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
MAOB P27338 1/20 0.39
PTGER1 P34995 1/20 0.38
BRD4 O60885 2/20 0.37
ALOX5 P09917 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
IDO1 P14902 1/20 0.36
PDE5A O76074 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PLAUR Q03405 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 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
SCHEMBL19830904 1.00 THRA (0.39) THRATHRBMAOBPTGER1BRD4
SCHEMBL19831107 0.85 GAA (0.48) THRATHRBMAOBPTGER1ALOX5
SCHEMBL30835116 0.85 GAA (0.48) THRATHRBMAOBPTGER1ALOX5
SCHEMBL28284783 0.84 GRM5 (0.41) THRATHRBMAOBMAPTGAA
SCHEMBL30835031 0.82 BRD4 (0.51) PTGER1BRD4MAPTIDO1PDE5A
SCHEMBL19830897 0.82 BRD4 (0.51) PTGER1BRD4MAPTIDO1PDE5A
SCHEMBL30835087 0.82 BRD4 (0.51) PTGER1BRD4MAPTIDO1PDE5A
SCHEMBL28594861 0.80 THRA (0.48) THRATHRBMAOBALOX5MAPT
SCHEMBL12772158 0.79 MAPK1 (0.48) THRATHRBMAOBPTGER1MAPT
SCHEMBL1154801 0.78 THRB (0.56) THRATHRBMAOBMAPTGAA

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-112961102-B Metal complex and electron transport material using the same 大电株式会社 2024-03-12 CN disclosed