SCHEMBL798611

SCHEMBL798611

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)Nc1ccccc1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.67
KEAP1 Q14145 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
POLB P06746 3/20 0.39
GFER P55789 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
PIK3CA P42336 2/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CB P42338 1/20 0.39
PKM P14618 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
BRD4 O60885 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL9953892 0.90 ALPL (0.60) ALPLSLC22A12POLBPIK3CAMTOR
SCHEMBL10288756 0.90 ALPL (0.69) ALPLPOLBMEN1KMT2APIK3CA
SCHEMBL9954577 0.89 ALPL (0.66) ALPLSLC22A12KMT2APIK3CAPIK3CG
SCHEMBL9955197 0.89 ALPL (0.66) ALPLSLC22A12POLBPIK3CAMTOR
SCHEMBL798423 0.86 ALPL (0.76) ALPLKMT2APIK3CAPIK3CGPIK3CD
SCHEMBL9954425 0.85 ALPL (0.61) ALPLSLC22A12POLBPIK3CAMTOR
SCHEMBL10289041 0.84 ALPL (0.62) ALPLSLC22A12POLBPIK3CAMTOR
SCHEMBL798326 0.83 ALPL (0.69) ALPLMEN1KMT2APIK3CAPIK3CG
SCHEMBL798532 0.82 ALPL (0.68) ALPLMEN1MAPK1KMT2APIK3CA
SCHEMBL9953673 0.82 ALPL (0.65) ALPLMAPK1KMT2APIK3CAPIK3CG

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-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed