SCHEMBL9954671

SCHEMBL9954671

Nc1nc2ccc(I)cc2c(=O)n1-c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 4/20 0.52
LMNA P02545 1/20 0.44
TDO2 P48775 1/20 0.44
IDO2 Q6ZQW0 1/20 0.44
PDE4D Q08499 1/20 0.43
HPD P32754 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GLA P06280 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
SCHEMBL9952904 0.87 GLA (0.51) HCAR1TDO2IDO2L3MBTL1GLA
SCHEMBL9954505 0.87 PDE7A (0.45) HCAR1TDO2IDO2PDE4D
SCHEMBL9954747 0.86 HCAR1 (0.53) HCAR1LMNAHPD
SCHEMBL9954001 0.86 PDE4D (0.56) HCAR1LMNAPDE4DHPDL3MBTL1
SCHEMBL9953432 0.86 HCAR1 (0.55) HCAR1LMNATDO2IDO2PDE4D
SCHEMBL9953739 0.85 HPD (0.47) HCAR1TDO2IDO2PDE4DHPD
SCHEMBL9952676 0.85 HCAR1 (0.56) HCAR1LMNATDO2IDO2PDE4D
SCHEMBL9954119 0.84 HCAR1 (0.52) HCAR1LMNATDO2IDO2HPD
SCHEMBL9953324 0.83 HCAR1 (0.50) HCAR1
SCHEMBL9954341 0.83 L3MBTL1 (0.51) LMNAHPDL3MBTL1

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