SCHEMBL23258784

SCHEMBL23258784

O=c1cc(Br)cccc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.60
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPK14 Q16539 2/20 0.46
HPD P32754 1/20 0.46
LTA4H P09960 1/20 0.46
PTPN1 P18031 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
SLC6A4 P31645 1/20 0.46
CCR5 P51681 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
MAOA P21397 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46

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
SCHEMBL23258785 0.87 MAOB (0.60) MAOBMAPTMAPK1TDP1L3MBTL1
SCHEMBL23258867 0.80 MAPT (0.59) MAOBMAPTMAPK1TDP1L3MBTL1
SCHEMBL23258431 0.79 RAB9A (0.49) MAOBMAPTMAPK1TDP1L3MBTL1
SCHEMBL10743233 0.76 HDAC4 (0.59) MAOBMAPTMAPK1TDP1L3MBTL1
SCHEMBL21953183 0.76 TDP1 (0.64) MAOBMAPTMAPK1TDP1L3MBTL1
SCHEMBL368071 0.75 SLC6A4 (0.66) MAOBSLC6A4CCR5
SCHEMBL31644088 0.75 SLC6A4 (0.66) MAOBSLC6A4CCR5
SCHEMBL29666660 0.75 MAOB (1.00) MAOBMAOAMRGPRX4
SCHEMBL73864 0.75 MAOB (1.00) MAOBMAOAMRGPRX4
SCHEMBL2467889 0.75 COMT (0.49) MAOBMAPK14CCR5

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
WO-2021076938-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS Ambys Medicines, Inc. (US) 2021-04-22 WO disclosed