SCHEMBL8709574

SCHEMBL8709574

COC(=O)c1c(C)oc2ccc(Br)cc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
TSHR P16473 6/20 0.51
MAPT P10636 3/20 0.51
CA12 O43570 3/20 0.50
CA9 Q16790 3/20 0.50
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 2/20 0.46
TP53 P04637 2/20 0.46
GAA P10253 3/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 2/20 0.45
SLC26A4 O43511 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL15020039 0.90 GAA (0.55) ALDH1A1TSHRMAPTCA12CA9
SCHEMBL29853045 0.90 GAA (0.55) ALDH1A1TSHRMAPTCA12CA9
SCHEMBL8712815 0.86 PTGS2 (0.54) ALDH1A1TSHRMAPTCA12CA9
SCHEMBL1772596 0.80 CYP2C9 (0.64) ALDH1A1MAPTKMT2AKDM4EHSD17B10
SCHEMBL2761737 0.78 CA12 (0.72) ALDH1A1TSHRMAPTCA12CA9
SCHEMBL15019934 0.76 SLC26A4 (0.64) ALDH1A1TSHRCA12CA9KMT2A
SCHEMBL21954283 0.76 PTGS2 (0.64) ALDH1A1TSHRMAPTKDM4ELMNA
SCHEMBL4520835 0.76 MAPT (0.52) ALDH1A1TSHRMAPTCA12CA9
SCHEMBL30901818 0.76 KMT2A (0.60) MAPTCA12CA9KMT2AKDM4E
SCHEMBL717905 0.75 KCNH2 (0.67) ALDH1A1TSHRMAPTKMT2AMEN1

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-1998027080-A1 CHROMONES USEFUL AS FUNGICIDES AGREVO UK LIMITED (GB) 1998-06-25 WO disclosed