SCHEMBL9954540

SCHEMBL9954540

O=c1c2cc(I)ccc2nc(Cl)n1-c1ccccc1OC(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 6/20 0.58
TDO2 P48775 1/20 0.39
IDO2 Q6ZQW0 1/20 0.39
IDH1 O75874 1/20 0.39

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
SCHEMBL9953833 0.87 HCAR1 (0.58) HCAR1TDO2IDO2
SCHEMBL9954370 0.85 L3MBTL1 (0.51)
SCHEMBL9953657 0.83 HCAR1 (0.56) HCAR1TDO2IDO2
SCHEMBL9954119 0.82 HCAR1 (0.52) HCAR1TDO2IDO2
SCHEMBL9955332 0.81 HCAR1 (0.51) HCAR1TDO2IDO2
SCHEMBL9952976 0.79 LMNA (0.45) HCAR1TDO2IDO2
SCHEMBL9954105 0.79 HCAR1 (0.53) HCAR1TDO2IDO2
SCHEMBL9953531 0.78 PDE4D (0.42) HCAR1TDO2IDO2
SCHEMBL9954457 0.77 HCAR1 (0.50) HCAR1
SCHEMBL9953491 0.76 HCAR1 (0.41) HCAR1

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