SCHEMBL7066401

SCHEMBL7066401

O=c1cccnn1-c1cncs1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
SCN9A Q15858 1/20 0.36
EP300 Q09472 1/20 0.33
KAT2B Q92831 1/20 0.33
TBXAS1 P24557 1/20 0.31
DYRK1A Q13627 2/20 0.31
DYRK2 Q92630 1/20 0.30
DYRK1B Q9Y463 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CYP19A1 P11511 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
SCHEMBL28792402 0.75 CA12 (0.42) CA12CA1CA2CA9EP300
SCHEMBL14955293 0.69 CA12 (0.51) CA12CA1CA2CA9EP300
SCHEMBL13749005 0.69 CA12 (0.41) CA12CA1CA2CA9KCNH2
SCHEMBL15105004 0.68 CA12 (0.59) CA12CA1CA2CA9EP300
SCHEMBL4789303 0.67 ALDH1A1 (0.43) CA12CA1CA2CA9EP300
SCHEMBL11994469 0.66 CA12 (0.38) CA12CA1CA2CA9KCNH2
SCHEMBL25614993 0.63 CA12 (0.45) CA12CA1CA2CA9EP300
SCHEMBL8303608 0.63 PIM1 (0.30)
SCHEMBL27250759 0.63 CA12 (0.49) CA12CA1CA2CA9KCNH2
SCHEMBL27250762 0.62 CA12 (0.51) CA12CA1CA2CA9KCNH2

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-1441732-A2 THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003039451-A2 THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 WO disclosed