SCHEMBL8629913

SCHEMBL8629913

CC1=NS(=O)(=O)c2cnccc2N1C(C)C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 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
SCHEMBL8562486 0.80 CYP3A4 (0.33) CA12CA1CA2CA9CYP3A4
SCHEMBL8623666 0.74 L3MBTL1 (0.35) CA12CA1CA2CA9CYP3A4
SCHEMBL8625791 0.71 ALDH1A1 (0.33) CA12CA1CA2CA9
SCHEMBL27506106 0.67
SCHEMBL27490066 0.66 CA12 (0.37) CA12CA1CA2CA9
SCHEMBL27491838 0.63 CA12 (0.40) CA12CA1CA2CA9
SCHEMBL8627275 0.63 CYP3A4 (0.36) CA12CA1CA2CA9CYP3A4
SCHEMBL8556566 0.63 GRIA2 (0.35) CA12CA1CA2CA9CYP3A4
SCHEMBL8626449 0.61 NFATC1 (0.34)
SCHEMBL8623946 0.61 CA12 (0.38) CA12CA1CA2CA9CYP3A4

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