SCHEMBL9953739

SCHEMBL9953739

Cc1ccc(-n2c(N)nc3ccc(I)cc3c2=O)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 2/20 0.47
POLB P06746 1/20 0.45
GLA P06280 1/20 0.44
TDO2 P48775 3/20 0.40
IDO2 Q6ZQW0 3/20 0.40
IDO1 P14902 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HCAR1 Q9BXC0 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE7A Q13946 1/20 0.37

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 0.88 GLA (0.51) POLBGLATDO2IDO2IDO1
SCHEMBL9954358 0.88 ALDH1A1 (0.53) HPDPOLBTDO2IDO2ALDH1A1
SCHEMBL9953501 0.86 HPD (0.47) HPDPOLBGLATDO2IDO2
SCHEMBL9954671 0.85 HCAR1 (0.52) HPDGLATDO2IDO2HCAR1
SCHEMBL9953564 0.83 TDO2 (0.48) HPDPOLBGLATDO2IDO2
SCHEMBL9954001 0.79 PDE4D (0.56) HPDALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL9953800 0.79 POLB (0.41) POLBHCAR1PI4KAPIK3CGCA12
SCHEMBL9954505 0.78 PDE7A (0.45) TDO2IDO2MAPTHCAR1PI4KA
SCHEMBL9954423 0.76 POLB (0.41) POLBTDO2IDO2IDO1PI4KA
SCHEMBL9954651 0.76 POLB (0.53) HPDPOLBTDO2IDO2IDO1

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