SCHEMBL789809

SCHEMBL789809

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.49
L3MBTL1 Q9Y468 4/20 0.44
MAPT P10636 1/20 0.42
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
TSHR P16473 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL790689 0.91 ALPL (0.51) ALPLL3MBTL1ALDH1A1SMN1; SMN2TSHR
SCHEMBL9954366 0.90 ALPL (0.50) ALPLALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL14317978 0.90 ALPL (0.50) ALPLL3MBTL1ALDH1A1SMN1; SMN2TSHR
SCHEMBL9954690 0.82 ALPL (0.57) ALPLSMN1; SMN2PIK3CD
SCHEMBL1502534 0.78 ALPL (0.56) ALPL
SCHEMBL9954248 0.76 ALPL (0.54) ALPLMAPTTSHR
SCHEMBL9953472 0.76 ALPL (0.62) ALPLL3MBTL1PIK3CDPIK3CA
SCHEMBL10289141 0.76 MAPT (0.49) L3MBTL1MAPTALDH1A1SMN1; SMN2CYP3A4
SCHEMBL16600189 0.75 ALDH1A1 (0.44) L3MBTL1ALDH1A1SMN1; SMN2TSHR
SCHEMBL31436962 0.75 POLB (0.38) ALDH1A1SMN1; SMN2CYP3A4

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