SCHEMBL9953129

SCHEMBL9953129

O=c1c2cc(I)ccc2nc(Cl)n1-c1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
TDO2 P48775 2/20 0.39
IDO2 Q6ZQW0 2/20 0.39
ESR2 Q92731 1/20 0.39
IDO1 P14902 1/20 0.39
PIK3CD O00329 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PIK3R1 P27986 1/20 0.36
HCAR1 Q9BXC0 1/20 0.35

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
SCHEMBL9954657 0.88 HPD (0.44) POLBTDO2IDO2IDO1HCAR1
SCHEMBL9954457 0.85 HCAR1 (0.50) ESR2CA12CA1CA2CA9
SCHEMBL9953965 0.84 POLB (0.41) POLBESR2CA12CA1CA2
SCHEMBL9954423 0.84 POLB (0.41) POLBTDO2IDO2IDO1PIK3CD
SCHEMBL10517573 0.83 NPC1 (0.46) POLBESR2
SCHEMBL5607040 0.82 APAF1 (0.48) POLBTDO2IDO2IDO1PIK3CD
SCHEMBL9954122 0.81 ESR2 (0.44) POLBESR2CA12CA1CA2
SCHEMBL9955025 0.81 ESR2 (0.41) POLBESR2CA12CA1CA2
SCHEMBL9954576 0.81 ESR2 (0.41) POLBESR2CA12CA1CA2
SCHEMBL9953879 0.81 GLA (0.51) POLBTDO2IDO2IDO1

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