SCHEMBL9953056

SCHEMBL9953056

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1CN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.47
DGAT1 O75907 2/20 0.41
PDE4A P27815 5/20 0.38
PDE4B Q07343 5/20 0.38
PDE4C Q08493 5/20 0.38
PDE4D Q08499 5/20 0.38
TSHR P16473 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 1/20 0.37
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP11B1 P15538 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL9955039 0.79 ALPL (0.54) ALPLDGAT1PDE4APDE4BPDE4C
SCHEMBL17450629 0.79 DGAT1 (0.47) ALPLDGAT1PDGFRBKDRCYP11B1
SCHEMBL3676643 0.77 ALPL (0.46) ALPLDGAT1PDGFRBKDRAAK1
SCHEMBL455653 0.75 ALPL (0.46) ALPLDGAT1PDGFRBKDRAAK1
SCHEMBL29556839 0.75 ALPL (0.56) ALPLPDGFRBKDR
SCHEMBL790824 0.75 ALPL (0.56) ALPLPDGFRBKDR
SCHEMBL9960814 0.74 ALPL (0.58) ALPLDGAT1PDGFRBKDRALDH1A1
SCHEMBL15056968 0.73 AAK1 (0.44) ALPLDGAT1PDGFRBKDRAAK1
SCHEMBL789432 0.73 ALPL (0.52) ALPLDGAT1MAPK1PDGFRBKDR
SCHEMBL15956784 0.73 DGAT1 (0.43) ALPLDGAT1TSHR

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