SCHEMBL24075587

SCHEMBL24075587

CC1NS(=O)(=O)Oc2ccc(-c3ccc(Oc4ccccc4)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.38
ACACB O00763 2/20 0.36
ACACA Q13085 2/20 0.36
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
MCL1 Q07820 2/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
SCN9A Q15858 2/20 0.33
GRIA2 P42262 1/20 0.33
GALR1 P47211 1/20 0.33
ERN1 O75460 1/20 0.33
ICMT O60725 1/20 0.33

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
SCHEMBL24074879 0.90 FFAR4 (0.39) GSTP1ACACBACACAMAPTTDP1
SCHEMBL24075506 0.85 CA12 (0.49) CA12CA9MAPTTDP1
SCHEMBL24075509 0.83 MAPT (0.39) ACACBACACAMAPTTDP1GRIA2
SCHEMBL24075666 0.76 GSTP1 (0.37) GSTP1ACACBACACAMAPTTDP1
SCHEMBL24075584 0.76 GSTP1 (0.40) GSTP1FFAR1FFAR4GALR1
SCHEMBL24075746 0.75 CA12 (0.46) CA12CA9MAPTTDP1
SCHEMBL24068870 0.73 GSTP1 (0.39) GSTP1ACACBACACACA12CA9
SCHEMBL30913032 0.72 KMT2A (0.37)
SCHEMBL24074874 0.70 CA2 (0.42) CA12CA9
SCHEMBL24068800 0.70 GRIA2 (0.39) GSTP1ACACBACACAGPR84MCL1

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 3 patents. 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
CN-111518058-B Oxathiazine compound and application thereof 四川大学华西医院 2021-03-09 CN disclosed
CN-111518058-A Oxathiazine compound and application thereof 四川大学华西医院 2020-08-11 CN disclosed