SCHEMBL791058

SCHEMBL791058

COc1ncc(Br)cc1NS(=O)(=O)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 8/20 0.47
SLC40A1 Q9NP59 4/20 0.46
BRAF P15056 1/20 0.46
PIK3CG P48736 3/20 0.46
CGAS Q8N884 1/20 0.45
CYP17A1 P05093 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
PIK3CA P42336 3/20 0.41
MTOR P42345 1/20 0.41
METAP2 P50579 1/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3R1 P27986 1/20 0.41

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
SCHEMBL358926 0.83 PIK3CG (0.63) SLC40A1PIK3CGPIK3CAMTORPIK3CD
SCHEMBL30333387 0.81 PIK3CA (0.45) PIK3CGPIK3CAMTORPIK3CDPIK3CB
SCHEMBL789565 0.80 PIK3CA (0.57) GLO1SLC40A1BRAFPIK3CGCYP17A1
SCHEMBL28549695 0.80 PIK3CG (0.50) PIK3CGPIK3CAMTORPIK3CDPIK3CB
SCHEMBL30902213 0.79 PIK3CA (0.56) BRAFPIK3CGSLC22A12PIK3CAMTOR
SCHEMBL15555632 0.79 PIK3CA (0.56) BRAFPIK3CGSLC22A12PIK3CAMTOR
Ammonia Solution, Strong SCHEMBL28564473 0.79 PIK3CG (0.49) PIK3CGPIK3CAMTORPIK3CDPIK3CB
SCHEMBL790895 0.78 ALDH1A1 (0.61) SLC40A1
SCHEMBL790434 0.78 ALPL (0.54) GLO1SLC40A1BRAFPIK3CGCYP17A1
SCHEMBL30333651 0.78 CCKBR (0.47) SLC40A1PIK3CGPIK3CAMTORPIK3CD

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-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed