SCHEMBL9943352

SCHEMBL9943352

Nc1nc(NS(=O)(=O)c2ccccc2S)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
GFER P55789 2/20 0.45
POLB P06746 3/20 0.40
MAOA P21397 4/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
SMOX Q9NWM0 1/20 0.36

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
SCHEMBL10561249 0.83 GAA (0.51) GAAGFERMEN1KMT2ASMOX
SCHEMBL8356823 0.79 MEN1 (0.51) GAAMAOAMEN1KMT2A
SCHEMBL8351640 0.72 MCL1 (0.52) GAAGFERMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL10561364 0.71 MCL1 (0.51) GAAGFERMEN1KMT2AMAPT
SCHEMBL17742100 0.65 GAA (0.61) GAAGFERMAOASMOX
SCHEMBL4338778 0.65 POLB (0.39) POLBMEN1KMT2A
SCHEMBL12845739 0.64 GAA (0.70) GAAGFERMEN1KMT2AMAPT
SCHEMBL5227239 0.64 GAA (0.50) GAAGFERPOLBMEN1KMT2A
SCHEMBL6744037 0.63 GAA (1.00) GAAGFERMEN1KMT2AMAPT
SCHEMBL11537267 0.63 KMT2A (0.65) MEN1KMT2AMAPT

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
EP-1745041-B1 QUINOXALINE INHIBITORS OF THE HEDGEHOG SIGNALLING PATHWAY GENENTECH INC (US) 2012-06-20 EP disclosed