SCHEMBL28124530

SCHEMBL28124530

COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1Br

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.80
HSD17B10 Q99714 8/20 0.80
MAPT P10636 6/20 0.80
NPC1 O15118 6/20 0.80
RAB9A P51151 6/20 0.80
TP53 P04637 3/20 0.80
MAPK1 P28482 1/20 0.80
POLB P06746 3/20 0.78
HMGB1 P09429 1/20 0.78
ALDH1A1 P00352 8/20 0.68
HPGD P15428 7/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
CYP3A4 P08684 4/20 0.68
HDAC6 Q9UBN7 3/20 0.68
CYP2D6 P10635 2/20 0.68
CYP2C9 P11712 2/20 0.68
MAOA P21397 2/20 0.68
MAOB P27338 2/20 0.68
CYP2C19 P33261 2/20 0.68
MEN1 O00255 1/20 0.68

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
Cladrin SCHEMBL738092 0.89 KDM4E (1.00) KDM4EHSD17B10MAPTNPC1RAB9A
Calycosin SCHEMBL30335127 0.88 KDM4E (1.00) KDM4EHSD17B10MAPTNPC1RAB9A
Calycosin SCHEMBL73013 0.88 KDM4E (1.00) KDM4EHSD17B10MAPTNPC1RAB9A
SCHEMBL2069826 0.85 KDM4E (0.84) KDM4EHSD17B10MAPTNPC1RAB9A
SCHEMBL29788255 0.85 KDM4E (0.84) KDM4EHSD17B10MAPTNPC1RAB9A
SCHEMBL12206681 0.84 KDM4E (0.77) KDM4EHSD17B10MAPTNPC1RAB9A
SCHEMBL30238115 0.83 KDM4E (0.83) KDM4EHSD17B10MAPTNPC1RAB9A
SCHEMBL13904731 0.81 KDM4E (0.77) KDM4EHSD17B10MAPTNPC1RAB9A
Formononetin SCHEMBL29361145 0.81 KDM4E (1.00) KDM4EHSD17B10MAPTNPC1RAB9A
Formononetin SCHEMBL15271536 0.81 KDM4E (1.00) KDM4EHSD17B10MAPTNPC1RAB9A

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-106279089-A Formoononetin aliphatic ether analog derivative, its preparation method and medical usage 南京华迈生物医药科技有限公司 2017-01-04 CN disclosed