SCHEMBL9954577

SCHEMBL9954577

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)Nc1ccccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.66
BRD4 O60885 3/20 0.42
BRD2 P25440 2/20 0.42
BRD3 Q15059 2/20 0.42
PTGES2 Q9H7Z7 1/20 0.41
CCR4 P51679 6/20 0.41
PIK3C3 Q8NEB9 2/20 0.41
GRM4 Q14833 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL10288756 0.89 ALPL (0.69) ALPLBRD4BRD2BRD3GRM4
SCHEMBL798611 0.89 ALPL (0.67) ALPLBRD4SMN1; SMN2SLC22A12ALDH1A1
SCHEMBL9955197 0.88 ALPL (0.66) ALPLPTGES2PIK3C3SMN1; SMN2SLC22A12
SCHEMBL798423 0.85 ALPL (0.76) ALPLLMNAALDH1A1KMT2APIK3CD
SCHEMBL9954425 0.84 ALPL (0.61) ALPLPTGES2CCR4PIK3C3SMN1; SMN2
SCHEMBL9952780 0.83 ALPL (0.68) ALPLCCR4LMNASMN1; SMN2ALDH1A1
SCHEMBL9953892 0.83 ALPL (0.60) ALPLPTGES2PIK3C3SMN1; SMN2SLC22A12
SCHEMBL10289041 0.83 ALPL (0.62) ALPLPTGES2PIK3C3SMN1; SMN2SLC22A12
SCHEMBL9954845 0.83 ALPL (0.67) ALPLLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL9953673 0.81 ALPL (0.65) ALPLPTGES2CCR4PIK3C3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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