SCHEMBL6660657

SCHEMBL6660657

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.34
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
LMNA P02545 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 SCHEMBL4644963 0.94 HTT (0.31) LTA4HHTTSMN1; SMN2
Trifluoromethanesulfonic Acid SCHEMBL4644148 0.87 HTT (0.35) HTTSMN1; SMN2LMNA
SCHEMBL6023028 0.84 HTT (0.33) HTTSMN1; SMN2LMNA
SCHEMBL4643982 0.84 LTA4H (0.42) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL6660652 0.83 HTT (0.44) LTA4HTSHRHTTSMN1; SMN2NR1H2
SCHEMBL4644201 0.82 LTA4H (0.41) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL4646383 0.82 ALDH1A1 (0.33)
SCHEMBL4643483 0.81 HTT (0.31) HTTSMN1; SMN2
SCHEMBL6658051 0.80 HTT (0.44) LTA4HTSHRHTTSMN1; SMN2NR1H2
SCHEMBL6658055 0.79 LTA4H (0.34) LTA4HTSHRHTTSMN1; SMN2NR1H2

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