Iodide

Iodide

SCHEMBL8733616

Cc1c(C)c(C)c(-c2ccccc2OS(=O)(=O)C(F)(F)F)c(C)c1C.I

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.41
DRD3 P35462 6/20 0.38
DRD4 P21917 4/20 0.38
DRD1 P21728 2/20 0.38
DRD5 P21918 2/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
DUSP3 P51452 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR1D P28221 2/20 0.34
HTR5A P47898 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL18015659 0.94 DRD2 (0.43) DRD2DRD3DRD4DRD1DRD5
SCHEMBL7023211 0.83 DRD2 (0.42) DRD2DRD3DRD4DRD1DRD5
Iodide SCHEMBL8735164 0.82 DRD2 (0.40) DRD2DRD3DRD4DRD1DRD5
SCHEMBL16926997 0.81 DRD2 (0.41) DRD2DRD3DRD4DRD1DRD5
Iodide SCHEMBL8735171 0.81 SLC22A12 (0.49) DRD2DRD3DRD4DRD1DRD5
SCHEMBL20539283 0.80 DRD2 (0.44) DRD2DRD3DRD4DRD1DRD5
Iodide SCHEMBL8737221 0.80 LMNA (0.43) DRD2DRD3DRD4DRD1DRD5
SCHEMBL367003 0.78 DRD2 (0.42) DRD2DRD3DRD4DRD1DRD5
SCHEMBL15080528 0.77 GPR3 (0.39) DRD2DRD3DRD4DRD1DRD5
SCHEMBL1712875 0.77 DRD2 (0.43) DRD2DRD3DRD4DRD1DRD5

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-0697387-B1 Improved method for the preparation of iodonium salts DOW CORNING (US) 1998-04-22 EP disclosed
US-5426222-A Mixing iodoarene dicarboxylate, solvent, adding acid to form homogeneous reaction mixture, reacting with benzene or substituted benzene, stripping solvent DOW CORNING CORPORATION (US) 1995-06-20 US disclosed