SCHEMBL9953749

SCHEMBL9953749

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)Nc1cccc(F)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 7/20 0.67
SMN1; SMN2 Q16637 1/20 0.47
PIK3CD O00329 2/20 0.43
PIK3R1 P27986 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
PIK3C3 Q8NEB9 1/20 0.42
LMNA P02545 1/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.39
ESR1 P03372 1/20 0.38

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
SCHEMBL9954994 0.90 ALPL (0.66) ALPLPIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL798532 0.89 ALPL (0.68) ALPLSMN1; SMN2PIK3CDPIK3R1PIK3CA
SCHEMBL10277403 0.89 ALPL (0.71) ALPLSMN1; SMN2PIK3CDPIK3R1PIK3CA
SCHEMBL9953304 0.89 ALPL (0.71) ALPLSMN1; SMN2PIK3CDPIK3R1PIK3CA
SCHEMBL798423 0.89 ALPL (0.76) ALPLPIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL9954845 0.88 ALPL (0.67) ALPLSMN1; SMN2PIK3CDPIK3R1PIK3CA
SCHEMBL9953632 0.87 ALPL (0.66) ALPLSMN1; SMN2PIK3CDPIK3R1PIK3CA
SCHEMBL9953673 0.87 ALPL (0.65) ALPLSMN1; SMN2PIK3CDPIK3R1PIK3CA
SCHEMBL9954198 0.84 ALPL (0.62) ALPLPIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL9953720 0.84 ALPL (0.62) ALPLPIK3CDPIK3R1PIK3CAPIK3CB

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 4 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-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