SCHEMBL3798013

SCHEMBL3798013

CC(C)Oc1ncc(Br)cc1NS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.43
PIK3CA P42336 6/20 0.43
PIK3CB P42338 5/20 0.43
PIK3CG P48736 5/20 0.43
SLC22A12 Q96S37 1/20 0.43
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 1/20 0.38
SCN9A Q15858 1/20 0.38
P2RX3 P56373 1/20 0.35

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
SCHEMBL17951279 0.84 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBPIK3CGPTGS1
SCHEMBL29556703 0.83 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL114826 0.83 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20461926 0.82 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGCYP19A1
Ammonia Solution, Strong SCHEMBL28553362 0.82 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL789433 0.81 PIK3CG (0.48) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL859011 0.81 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGSLC22A12
SCHEMBL17946279 0.80 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGCYP19A1
SCHEMBL21513479 0.80 PRKDC (0.44) PIK3CDPIK3CAPIK3CBPIK3CGSLC22A12
SCHEMBL29661229 0.80 PRKDC (0.44) PIK3CDPIK3CAPIK3CBPIK3CGSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010135568-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-11-25 WO disclosed