SCHEMBL9953535

SCHEMBL9953535

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.57
DGAT1 O75907 2/20 0.41
AAK1 Q2M2I8 1/20 0.40
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
FFAR1 O14842 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
USP30 Q70CQ3 1/20 0.32
NAMPT P43490 1/20 0.32
PDGFRB P09619 1/20 0.32

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
SCHEMBL9953888 0.91 ALPL (0.56) ALPLDGAT1AAK1GSK3AGSK3B
SCHEMBL14317989 0.88 ALPL (0.59) ALPLDGAT1AAK1GSK3AGSK3B
SCHEMBL9955177 0.85 ALPL (0.56) ALPLDGAT1AAK1GSK3AGSK3B
SCHEMBL798817 0.85 ALPL (0.60) ALPLDGAT1AAK1GSK3AGSK3B
SCHEMBL9953472 0.84 ALPL (0.62) ALPLDGAT1AAK1GSK3AGSK3B
SCHEMBL9953313 0.84 ALPL (0.55) ALPLDGAT1AAK1
SCHEMBL9954582 0.84 ALPL (0.55) ALPLDGAT1AAK1GSK3AGSK3B
SCHEMBL14317979 0.83 ALPL (0.56) ALPLDGAT1AAK1GSK3AGSK3B
SCHEMBL9954091 0.83 ALPL (0.61) ALPLDGAT1SMN1; SMN2
SCHEMBL9952979 0.82 ALPL (0.53) ALPLDGAT1AAK1NAMPTPIK3R1

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