SCHEMBL9955039

SCHEMBL9955039

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.54
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
DGAT1 O75907 2/20 0.41
HTR2C P28335 1/20 0.39
POLB P06746 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NAMPT P43490 1/20 0.37
HTT P42858 1/20 0.37
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL9960814 0.85 ALPL (0.58) ALPLALDH1A1KMT2ADGAT1KDM4E
SCHEMBL9954248 0.83 ALPL (0.54) ALPLMAPTDGAT1PDGFRBKDR
SCHEMBL9954091 0.81 ALPL (0.61) ALPLALDH1A1KMT2AMEN1DGAT1
SCHEMBL9954614 0.80 ALPL (0.52) ALPLDGAT1PDGFRBKDR
SCHEMBL9953056 0.79 ALPL (0.47) ALPLALDH1A1MAPTDGAT1PDE4A
SCHEMBL9954653 0.78 ALDH1A1 (0.48) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL798423 0.78 ALPL (0.76) ALPLALDH1A1KMT2APDGFRBKDR
SCHEMBL9954690 0.77 ALPL (0.57) ALPLDGAT1PDGFRBKDR
SCHEMBL17450629 0.76 DGAT1 (0.47) ALPLDGAT1PDGFRBKDR
SCHEMBL1502534 0.76 ALPL (0.56) ALPLDGAT1PDGFRBKDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed