SCHEMBL10690822

SCHEMBL10690822

Nc1ccc(-n2ncccc2=O)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
HRH3 Q9Y5N1 3/20 0.38
KCNH2 Q12809 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
NOS3 P29474 2/20 0.33
NOS2 P35228 2/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 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
SCHEMBL27250762 0.81 CA12 (0.51) CA12CA1CA2CA9HRH3
SCHEMBL22230138 0.80 CA12 (0.50) CA12CA1CA2CA9HRH3
SCHEMBL2411328 0.80 CA12 (0.50) CA12CA1CA2CA9HRH3
SCHEMBL25223687 0.80 CA12 (0.50) CA12CA1CA2CA9HRH3
SCHEMBL4670546 0.79 CA12 (0.65) CA12CA1CA2CA9HRH3
SCHEMBL29313354 0.76 CA12 (0.47) CA12CA1CA2CA9HRH3
SCHEMBL27446396 0.76 CA12 (0.47) CA12CA1CA2CA9HRH3
SCHEMBL27250759 0.76 CA12 (0.49) CA12CA1CA2CA9HRH3
SCHEMBL14955293 0.75 CA12 (0.51) CA12CA1CA2CA9CYP3A4
SCHEMBL3832090 0.72 CA12 (0.41) CA12CA1CA2CA9CHRNB2

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
EP-0255704-A2 Pyridazinone derivatives, process for their preparation and their use as medicines Roche Diagnostics GmbH (DE) 1988-02-10 EP disclosed