SCHEMBL9953795

SCHEMBL9953795

COc1cccc(-n2c(N)nc3ccc(I)cc3c2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
USP2 O75604 1/20 0.50
TP53 P04637 2/20 0.48
MEN1 O00255 2/20 0.47
GAA P10253 2/20 0.47
KMT2A Q03164 2/20 0.47
PSMD14 O00487 1/20 0.47
PI4KA P42356 4/20 0.47
PIK3CG P48736 3/20 0.47
APP P05067 1/20 0.46
POLB P06746 2/20 0.46
HPD P32754 1/20 0.46
MAPT P10636 4/20 0.45
THRB P10828 1/20 0.45
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL9953024 0.88 CA12 (0.52) MEN1KMT2AAPPHPDMAPT
SCHEMBL10289024 0.86 SMN1; SMN2 (0.55) SMN1; SMN2USP2TP53MEN1GAA
SCHEMBL9954100 0.86 SMN1; SMN2 (0.55) SMN1; SMN2USP2TP53MEN1GAA
SCHEMBL9953324 0.85 HCAR1 (0.50) PI4KAPIK3CGKDM4E
SCHEMBL9955586 0.83 HPD (0.44) SMN1; SMN2MEN1KMT2API4KAPIK3CG
SCHEMBL9953665 0.83 TGM2 (0.45) PI4KAPIK3CGHPD
SCHEMBL9955061 0.80 PIK3CG (0.48) SMN1; SMN2MEN1GAAKMT2API4KA
SCHEMBL9954546 0.80 PI4KA (0.44) PI4KAPIK3CG
SCHEMBL9953800 0.79 POLB (0.41) PI4KAPIK3CGPOLB
SCHEMBL9954341 0.79 L3MBTL1 (0.51) TP53MEN1KMT2AHPDMAPT

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