SCHEMBL28630848

SCHEMBL28630848

COC(=O)c1ccc(C(=O)O)cn1.[O-][n+]1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.60
KDM4E B2RXH2 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
P4HTM Q9NXG6 6/20 0.50
P4HA1 P13674 2/20 0.50
MIF P14174 1/20 0.50
HCAR3 P49019 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.40
AHR P35869 1/20 0.39

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
SCHEMBL29826109 0.87 MAPK1 (0.79) MAPK1KDM4EL3MBTL1P4HTMP4HA1
SCHEMBL64024 0.87 MAPK1 (0.79) MAPK1KDM4EL3MBTL1P4HTMP4HA1
SCHEMBL29508473 0.77 MAPK1 (1.00) MAPK1KDM4EL3MBTL1P4HTMP4HA1
SCHEMBL69747 0.77 MAPK1 (1.00) MAPK1KDM4EL3MBTL1P4HTMP4HA1
SCHEMBL989398 0.74 MAPK1 (0.79) MAPK1KDM4EL3MBTL1P4HTMP4HA1
SCHEMBL64700 0.74 MAPK1 (1.00) MAPK1KDM4EL3MBTL1P4HTMP4HA1
SCHEMBL21173949 0.73 P4HTM (0.70) MAPK1KDM4EL3MBTL1P4HTMP4HA1
SCHEMBL1019173 0.72 MAPK1 (0.77) MAPK1KDM4EL3MBTL1P4HTMP4HA1
SCHEMBL8251331 0.72 MAPK1 (0.77) MAPK1KDM4EL3MBTL1P4HTMP4HA1
SCHEMBL30401004 0.72 MAPK1 (0.77) MAPK1KDM4EL3MBTL1P4HTMP4HA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113402720-B Pyridine oxide COF material and preparation method and application thereof 山东师范大学 2022-11-29 CN disclosed
CN-113402720-A Pyridine oxide COF material and preparation method and application thereof 山东师范大学 2021-09-17 CN disclosed