SCHEMBL24075830

SCHEMBL24075830

CC1N[S@@](=O)Oc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
PARP1 P09874 1/20 0.33
HTR5A P47898 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ATM Q13315 1/20 0.31
TP53 P04637 1/20 0.30
HTT P42858 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
KMT2A Q03164 1/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL24075668 1.00 SMN1; SMN2 (0.33) SMN1; SMN2PARP1HTR5AHSP90AA1MAOA
SCHEMBL24074882 0.76 AHR (0.33)
SCHEMBL24075517 0.76 PBRM1 (0.36) TP53MEN1KMT2A
SCHEMBL24075508 0.76 MAPT (0.38) MAOAMAOBTP53
SCHEMBL24075666 0.73 GSTP1 (0.37) MEN1KMT2A
SCHEMBL24074878 0.73 FFAR4 (0.38)
SCHEMBL24074877 0.73 HTR1A (0.34) SMN1; SMN2HTT
SCHEMBL24074881 0.71 HTR2B (0.36) BRD4CREBBP
SCHEMBL24075744 0.70 ABL1 (0.39) SMN1; SMN2MAOATP53MEN1KMT2A
SCHEMBL24075505 0.70 CA12 (0.39) SMN1; SMN2TP53

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