SCHEMBL8626449

SCHEMBL8626449

CC(C)N1C=Nc2ccncc2S1(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NFATC1 O95644 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL8623459 0.71 NPC1 (0.36) DYRK1ANPSR1
SCHEMBL8623456 0.69 KDM4E (0.35)
SCHEMBL9261326 0.67 FFAR4 (0.33) NFATC1GSK3BDYRK1A
SCHEMBL89180 0.65 EGFR (0.33)
SCHEMBL8628232 0.65 MMP9 (0.38) NFATC1GSK3BDYRK1A
SCHEMBL19252985 0.65 SIRT3 (0.32)
SCHEMBL8627275 0.64 CYP3A4 (0.36)
SCHEMBL9257345 0.64 FFAR4 (0.33) NFATC1GSK3BDYRK1A
SCHEMBL8629913 0.61 CA12 (0.31)
SCHEMBL6617958 0.61 CA12 (0.30)

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
EP-0618209-B1 Pyridothiadiazines, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 1998-12-23 EP disclosed
EP-0618209-A1 Pyridothiadiazines, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-10-05 EP disclosed