SCHEMBL6658055

SCHEMBL6658055

Cc1ccccc1[S+](c1ccc(Oc2ccc([I+]c3ccccc3)cc2)cc1)c1ccccc1C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR1H2 P55055 1/20 0.31
BAX Q07812 1/20 0.31
MAOA P21397 1/20 0.31

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
Perchlorate SCHEMBL4641779 0.94 HTT (0.31) LTA4HLMNAHTTSMN1; SMN2
Perchlorate SCHEMBL4643794 0.91
Trifluoromethanesulfonic Acid SCHEMBL4645187 0.87 HTT (0.35) LMNAHTTSMN1; SMN2
SCHEMBL6024121 0.84 HTT (0.33) LMNAHTTSMN1; SMN2
Trifluoromethanesulfonic Acid SCHEMBL4643751 0.83 HTT (0.33) LMNAHTTSMN1; SMN2
SCHEMBL6658051 0.83 HTT (0.44) LTA4HLMNATSHRHTTSMN1; SMN2
SCHEMBL4644201 0.82 LTA4H (0.41) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL4647570 0.81 HTT (0.31) HTTSMN1; SMN2
SCHEMBL6024325 0.80 HTT (0.32) HTTSMN1; SMN2
Perchlorate SCHEMBL4644219 0.80

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-1443042-A1 HYBRID ONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2004-08-04 EP disclosed