SCHEMBL27349604

SCHEMBL27349604

COc1cc(N)c2c(c1)oc(=O)c1c3cc(O)c(O)cc3oc21

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.79
KMT2A Q03164 4/20 0.79
RECQL P46063 3/20 0.79
BLM P54132 3/20 0.79
SLC22A2 O15244 1/20 0.79
SLC22A1 O15245 1/20 0.79
EED O75530 1/20 0.79
ALOX5 P09917 1/20 0.79
THRB P10828 1/20 0.79
G6PD P11413 1/20 0.79
CBR1 P16152 1/20 0.79
APEX1 P27695 1/20 0.79
TDP1 Q9NUW8 1/20 0.79
CYP3A4 P08684 4/20 0.50
MAPT P10636 4/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 2/20 0.50
PKM P14618 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50

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
Wedelolactone SCHEMBL30669739 0.88 MEN1 (1.00) MEN1KMT2ARECQLBLMSLC22A2
Wedelolactone SCHEMBL29802384 0.88 MEN1 (1.00) MEN1KMT2ARECQLBLMSLC22A2
Wedelolactone SCHEMBL601220 0.88 MEN1 (1.00) MEN1KMT2ARECQLBLMSLC22A2
SCHEMBL14492102 0.80 MEN1 (0.83) MEN1KMT2ARECQLBLMSLC22A2
SCHEMBL30335047 0.74 MEN1 (0.71) MEN1KMT2ARECQLBLMSLC22A2
SCHEMBL30321460 0.74 MEN1 (0.71) MEN1KMT2ARECQLBLMSLC22A2
Demethylwedelolactone SCHEMBL31146849 0.73 MEN1 (0.72) MEN1KMT2ARECQLBLMSLC22A2
Demethylwedelolactone SCHEMBL3364302 0.73 MEN1 (0.72) MEN1KMT2ARECQLBLMSLC22A2
SCHEMBL30015278 0.72 MGAM (0.74) MEN1KMT2ARECQLBLMSLC22A2
SCHEMBL27857524 0.72 MGAM (0.74) MEN1KMT2ARECQLBLMSLC22A2

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-2024142102-A1 A POLYHERBAL FORMULATION FOR ANTIMIGRAINE ACTION POLISHETTY RAVISHANKAR (IN) 2024-07-04 WO disclosed