SCHEMBL789981

SCHEMBL789981

CCOc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.48
LMNA P02545 4/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC40A1 Q9NP59 1/20 0.43
PIK3CG P48736 4/20 0.43
KMT2A Q03164 3/20 0.41
TSHR P16473 1/20 0.41
PIK3CA P42336 3/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3R1 P27986 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
SQSTM1 Q13501 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL798317 0.92 ALPL (0.44) ALPLLMNASLC40A1KMT2APIK3CA
SCHEMBL15648486 0.90 ALPL (0.42) ALPLLMNAKDM4EHSD17B10KMT2A
SCHEMBL790824 0.89 ALPL (0.56) ALPLSLC40A1PIK3CGPIK3CAPIK3CD
SCHEMBL29556839 0.89 ALPL (0.56) ALPLSLC40A1PIK3CGPIK3CAPIK3CD
SCHEMBL791429 0.86 ALPL (0.47) ALPLHSD17B10SLC40A1PIK3CGPIK3CA
SCHEMBL15649596 0.84 ALPL (0.40) ALPLLMNAKDM4EHSD17B10KMT2A
SCHEMBL9955288 0.83 PIK3CG (0.52) ALPLSLC40A1PIK3CGTSHRPIK3CA
SCHEMBL3115744 0.82 PIK3CD (0.57) PIK3CGPIK3CAPIK3CDPIK3CBPIK3R1
SCHEMBL29555684 0.82 PIK3CD (0.57) PIK3CGPIK3CAPIK3CDPIK3CBPIK3R1
SCHEMBL798076 0.82 ALPL (0.47) ALPLKDM4EPIK3CGPIK3CAPIK3CD

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-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed