SCHEMBL9953833

SCHEMBL9953833

Nc1nc2ccc(I)cc2c(=O)n1-c1ccccc1OC(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 8/20 0.58
TDO2 P48775 1/20 0.39
IDO2 Q6ZQW0 1/20 0.39
PI4KA P42356 3/20 0.39
PIK3CG P48736 3/20 0.39
PDE4D Q08499 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36

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
SCHEMBL9954540 0.87 HCAR1 (0.58) HCAR1TDO2IDO2
SCHEMBL9954341 0.85 L3MBTL1 (0.51) L3MBTL1
SCHEMBL9952676 0.83 HCAR1 (0.56) HCAR1TDO2IDO2PI4KAPIK3CG
SCHEMBL9954671 0.82 HCAR1 (0.52) HCAR1TDO2IDO2PDE4DL3MBTL1
SCHEMBL9954747 0.79 HCAR1 (0.53) HCAR1
SCHEMBL9954001 0.79 PDE4D (0.56) HCAR1PI4KAPIK3CGPDE4DL3MBTL1
SCHEMBL9953432 0.79 HCAR1 (0.55) HCAR1TDO2IDO2PDE4D
SCHEMBL9953324 0.77 HCAR1 (0.50) HCAR1PI4KAPIK3CG
SCHEMBL9953491 0.76 HCAR1 (0.41) HCAR1L3MBTL1
SCHEMBL9954915 0.76 PI4KA (0.47) HCAR1TDO2IDO2PI4KAPIK3CG

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