SCHEMBL28758923

SCHEMBL28758923

O=C(O)C1=C(O)C(=O)c2ccccc2C1=O.[Fe]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 2/20 0.60
TDP2 O95551 2/20 0.60
FGFR1 P11362 4/20 0.58
FGFR2 P21802 4/20 0.58
FGFR4 P22455 4/20 0.58
FGFR3 P22607 4/20 0.58
P2RX7 Q99572 3/20 0.50
SRC P12931 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
TTR P02766 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 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
SCHEMBL29834814 1.00 APAF1 (0.60) APAF1TDP2FGFR1FGFR2FGFR4
SCHEMBL30304915 0.98 APAF1 (0.62) APAF1TDP2FGFR1FGFR2FGFR4
SCHEMBL11793576 0.84 FGFR1 (0.69) APAF1TDP2FGFR1FGFR2FGFR4
SCHEMBL16453655 0.79 APAF1 (0.60) APAF1TDP2FGFR1FGFR2FGFR4
SCHEMBL9178962 0.79 APAF1 (0.60) APAF1TDP2FGFR1FGFR2FGFR4
SCHEMBL461648 0.77 APAF1 (1.00) APAF1TDP2P2RX7TTRMEN1
SCHEMBL29678361 0.77 APAF1 (1.00) APAF1TDP2P2RX7TTRMEN1
SCHEMBL31370635 0.76 APAF1 (0.50) APAF1TDP2FGFR1FGFR2FGFR4
SCHEMBL229681 0.75 FGFR1 (0.58) APAF1TDP2FGFR1FGFR2FGFR4
SCHEMBL10560781 0.75 IDO1 (0.60) APAF1TDP2FGFR1FGFR2FGFR4

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-114614031-A Graphene modified electrode rich in heteroatom defects and preparation method and application thereof 长沙理工大学 2022-06-10 CN disclosed