SCHEMBL28085554

SCHEMBL28085554

COc1ccc(-c2c(O)c3ccccc3oc2=O)cc1OC

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.80
KDM4E B2RXH2 3/20 0.65
MEN1 O00255 3/20 0.65
CYP3A4 P08684 3/20 0.65
MAPT P10636 3/20 0.65
HPGD P15428 3/20 0.65
KMT2A Q03164 3/20 0.65
ALDH1A1 P00352 2/20 0.65
HSD17B10 Q99714 2/20 0.65
LMNA P02545 1/20 0.65
TP53 P04637 1/20 0.65
CASP1 P29466 1/20 0.65
CASP7 P55210 1/20 0.65
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
MAPK1 P28482 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GLA P06280 1/20 0.59
ABCB1 P08183 1/20 0.59
THRB P10828 1/20 0.59

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
SCHEMBL11485562 0.82 MAOB (1.00) MAOBKDM4EMEN1CYP3A4MAPT
3-Hydroxy-3',4'-Dimethoxyflavone SCHEMBL15676607 0.79 KDM4E (1.00) KDM4EMEN1CYP3A4MAPTHPGD
3-Hydroxy-3',4'-Dimethoxyflavone SCHEMBL4285872 0.79 KDM4E (1.00) KDM4EMEN1CYP3A4MAPTHPGD
3-Hydroxy-3',4'-Dimethoxyflavone SCHEMBL30139617 0.79 KDM4E (1.00) KDM4EMEN1CYP3A4MAPTHPGD
SCHEMBL27790298 0.77 MAOB (0.72) MAOBKDM4EMEN1CYP3A4KMT2A
SCHEMBL5423277 0.77 FYN (0.62) MAOBKDM4EMEN1CYP3A4MAPT
SCHEMBL11489232 0.77 MAOB (0.73) MAOBKDM4EMEN1CYP3A4KMT2A
SCHEMBL669375 0.77 MAOB (0.70) MAOBKDM4EMEN1CYP3A4KMT2A
SCHEMBL29466790 0.77 MAOB (0.70) MAOBKDM4EMEN1CYP3A4KMT2A
Xylocoumarol SCHEMBL2111715 0.76 MAOB (0.62) MAOBKDM4EMEN1CYP3A4KMT2A

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-105801544-A 3-aryl-4-arylamine-coumarin derivative and preparing method and medical application thereof 中国药科大学 2016-07-27 CN disclosed