SCHEMBL9953324

SCHEMBL9953324

Nc1nc2ccc(I)cc2c(=O)n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.50
PI4KA P42356 7/20 0.46
PIK3CG P48736 4/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL9954094 0.87 HCAR1 (0.51) HCAR1PI4KAPIK3CGCA12CA1
SCHEMBL9954651 0.87 POLB (0.53) PI4KAPIK3CGCA12CA1CA2
SCHEMBL9953665 0.87 TGM2 (0.45) PI4KAPIK3CG
SCHEMBL9955586 0.87 HPD (0.44) HCAR1PI4KAPIK3CGCA12CA1
SCHEMBL9953795 0.85 SMN1; SMN2 (0.55) PI4KAPIK3CGKDM4E
SCHEMBL9954423 0.85 POLB (0.41) PI4KAPIK3CGCA12CA1CA2
SCHEMBL9953800 0.85 POLB (0.41) HCAR1PI4KAPIK3CGCA12CA1
SCHEMBL9953556 0.84 CA12 (0.42) HCAR1CA12CA1CA2CA9
SCHEMBL9954066 0.84 PI4KA (0.46) PI4KAPIK3CGCA12CA1CA2
SCHEMBL9953024 0.84 CA12 (0.52) CA12CA1CA2CA9

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
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed