SCHEMBL798317

SCHEMBL798317

CCOc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.44
SLC40A1 Q9NP59 7/20 0.44
BRAF P15056 1/20 0.44
LMNA P02545 1/20 0.43
GLO1 Q04760 1/20 0.42
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
HIF1A Q16665 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
NAMPT P43490 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
CKS1B P61024 1/20 0.39
SKP2 Q13309 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
SCHEMBL789981 0.92 ALPL (0.48) ALPLSLC40A1LMNAPIK3CAMTOR
SCHEMBL791102 0.90 ALPL (0.52) ALPLSLC40A1BRAFGLO1PIK3CA
SCHEMBL29556249 0.90 ALPL (0.52) ALPLSLC40A1BRAFGLO1PIK3CA
SCHEMBL15648486 0.86 ALPL (0.42) ALPLLMNAHIF1AKEAP1NFE2L2
SCHEMBL15649596 0.82 ALPL (0.40) ALPLLMNAHIF1AALDH1A1KMT2A
SCHEMBL790824 0.81 ALPL (0.56) ALPLSLC40A1PIK3CAMTOR
SCHEMBL29556839 0.81 ALPL (0.56) ALPLSLC40A1PIK3CAMTOR
SCHEMBL28554047 0.80 ALPL (0.51) ALPLSLC40A1PIK3CAMTORNAMPT
SCHEMBL798076 0.80 ALPL (0.47) ALPLPIK3CAMTOR
SCHEMBL22447713 0.79 PIK3CA (0.47) ALPLPIK3CAMTOR

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