SCHEMBL3406910

SCHEMBL3406910

CCc1cn(-c2ccccc2)nn1.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.48
MAOA P21397 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DDX3X O00571 4/20 0.47
NPC1 O15118 1/20 0.46
APP P05067 1/20 0.45
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL3429983 0.90 DDX3X (0.51) NOTUMMAOAL3MBTL1DDX3XNPC1
SCHEMBL3431081 0.86 DDX3X (0.55) DDX3X
SCHEMBL3424998 0.86 DDX3X (0.55) DDX3X
SCHEMBL3427873 0.86 DDX3X (0.55) DDX3X
SCHEMBL3777938 0.82 NOTUM (0.68) NOTUMMAOAL3MBTL1NPC1DRD2
Bromide SCHEMBL1882333 0.80 NOTUM (0.66) NOTUMMAOAL3MBTL1NPC1DRD2
SCHEMBL1885206 0.78 MIF (0.52) DDX3XCA1CA2CA12CA9
SCHEMBL1885222 0.77 DDX3X (0.53) DDX3XDRD2DRD3
SCHEMBL18357888 0.72 DRD2 (0.60) NOTUMMAOACA1CA2CA12
SCHEMBL12224095 0.70 RXRA (0.54) NOTUMDDX3XCA1CA2CA12

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
EP-2254871-A1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS Technische Universität Dresden (DE) 2010-12-01 EP disclosed
WO-2009095012-A1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AND THE USE THEREOF Technische Universität Dresden (DE) 2009-08-06 WO disclosed