SCHEMBL3427873

SCHEMBL3427873

CCCCCCCCCCCc1cn(-c2ccccc2)nn1.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 10/20 0.55
MIF P14174 1/20 0.53
GABRA2 P47869 2/20 0.47
GABRB2 P47870 2/20 0.47
CYP19A1 P11511 6/20 0.46

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
SCHEMBL3424998 1.00 DDX3X (0.55) DDX3XMIFGABRA2GABRB2CYP19A1
SCHEMBL3431081 1.00 DDX3X (0.55) DDX3XMIFGABRA2GABRB2CYP19A1
SCHEMBL1885222 0.91 DDX3X (0.53) DDX3XMIFGABRA2GABRB2CYP19A1
SCHEMBL3429983 0.91 DDX3X (0.51) DDX3XMIFGABRA2GABRB2CYP19A1
SCHEMBL1885206 0.90 MIF (0.52) DDX3XMIFGABRA2GABRB2CYP19A1
SCHEMBL3406910 0.86 NOTUM (0.48) DDX3X
SCHEMBL16271203 0.84 MIF (0.71) DDX3XMIFGABRA2GABRB2CYP19A1
Bromide SCHEMBL1880908 0.83 MIF (0.69) DDX3XMIFGABRA2GABRB2CYP19A1
Bromide SCHEMBL1880796 0.83 MIF (0.69) DDX3XMIFGABRA2GABRB2CYP19A1
Bromide SCHEMBL1883955 0.83 MIF (0.69) DDX3XMIFGABRA2GABRB2CYP19A1

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