SCHEMBL9954526

SCHEMBL9954526

COC(=O)c1ccc(-n2c(N)nc3ccc(I)cc3c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
CA12 O43570 8/20 0.45
CA1 P00915 8/20 0.45
CA2 P00918 8/20 0.45
CA9 Q16790 8/20 0.45
ALDH1A1 P00352 1/20 0.42
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41

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
SCHEMBL9953877 0.86 POLB (0.54) POLBMAPTATMCA12CA1
SCHEMBL9953024 0.83 CA12 (0.52) MAPTCA12CA1CA2CA9
SCHEMBL9953324 0.80 HCAR1 (0.50) CA12CA1CA2CA9PI4KA
SCHEMBL9954651 0.79 POLB (0.53) POLBCA12CA1CA2CA9
SCHEMBL9954094 0.79 HCAR1 (0.51) POLBMAPTATMCA12CA1
SCHEMBL9955556 0.77 CA12 (0.47) POLBCA12CA1CA2CA9
SCHEMBL9953800 0.77 POLB (0.41) POLBCA12CA1CA2CA9
SCHEMBL9953795 0.77 SMN1; SMN2 (0.55) POLBMAPTALDH1A1PI4KAPIK3CG
SCHEMBL9953556 0.76 CA12 (0.42) POLBCA12CA1CA2CA9
SCHEMBL9954066 0.76 PI4KA (0.46) POLBCA12CA1CA2CA9

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