SCHEMBL24075508

SCHEMBL24075508

CC1NS(=O)Oc2cc(Oc3ccc(Oc4ccccc4)cc3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 4/20 0.36
MAOA P21397 3/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1B1 P15121 1/20 0.35
PTGS1 P23219 1/20 0.35
ACHE P22303 1/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
LTA4H P09960 1/20 0.34

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
SCHEMBL24074878 0.91 FFAR4 (0.38)
SCHEMBL24075666 0.83 GSTP1 (0.37) MAPTTDP1AKR1B1LTA4H
SCHEMBL24075827 0.77 GSTP1 (0.39) LTA4H
SCHEMBL24075830 0.76 SMN1; SMN2 (0.33) MAOBMAOATP53
SCHEMBL24075668 0.76 SMN1; SMN2 (0.33) MAOBMAOATP53
SCHEMBL24075744 0.76 ABL1 (0.39) MAPTTDP1MAOATP53
SCHEMBL24075509 0.74 MAPT (0.39) MAPTTDP1L3MBTL1MAOBMAOA
SCHEMBL24074882 0.74 AHR (0.33)
SCHEMBL24068988 0.69 L3MBTL1 (0.39) MAPTTDP1L3MBTL1MAOBMAOA
SCHEMBL24075517 0.65 PBRM1 (0.36) MAPTTP53POLB

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-2021238588-A1 OXATHIAZINE COMPOUND AND USE THEREOF 四川大学华西医院 2021-12-02 WO disclosed