SCHEMBL9953304

SCHEMBL9953304

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)Nc1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.71
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 3/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43

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) ALPLCA1CA2CA9CA12
SCHEMBL798326 0.90 ALPL (0.69) ALPLALDH1A1MEN1RECQLKMT2A
SCHEMBL10277379 0.90 ALPL (0.69) ALPLALDH1A1LMNACA1CA2
SCHEMBL9953632 0.90 ALPL (0.66) ALPLALDH1A1MEN1KMT2ALMNA
SCHEMBL9952780 0.89 ALPL (0.68) ALPLALDH1A1KMT2ALMNACA1
SCHEMBL798423 0.89 ALPL (0.76) ALPLALDH1A1KMT2ALMNACA1
SCHEMBL9953749 0.89 ALPL (0.67) ALPLALDH1A1PKMKMT2ALMNA
SCHEMBL9954198 0.87 ALPL (0.62) ALPLKMT2APIK3CDPIK3R1PIK3CA
SCHEMBL9953720 0.87 ALPL (0.62) ALPLPIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL10277403 0.85 ALPL (0.71) ALPLALDH1A1MEN1PKMKMT2A

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