SCHEMBL11522694

SCHEMBL11522694

Cc1cccc(S(C)(C)O[Cl+3]([O-])([O-])[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
ACHE P22303 2/20 0.39
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 3/20 0.36
FBP1 P09467 8/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
EDNRA P25101 1/20 0.35
IDO1 P14902 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3136884 0.79 KMT2A (0.41) KMT2AACHEMEN1ALDH1A1FBP1
SCHEMBL8757720 0.78 GAA (0.41) ACHEALDH1A1HTTTDP1SMN1; SMN2
SCHEMBL3299477 0.78 PTGS2 (0.36) ALDH1A1TDP1MAPTKDM4ELMNA
SCHEMBL18531349 0.71 ACHE (0.55) KMT2AACHEMEN1ALDH1A1FBP1
SCHEMBL21202709 0.71 ACHE (0.55) KMT2AACHEMEN1ALDH1A1FBP1
SCHEMBL11656936 0.70 MAPK1 (0.53) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL20169734 0.68 ACHE (0.46) KMT2AACHEMEN1ALDH1A1HTT
SCHEMBL21385862 0.68 ACHE (0.58) KMT2AACHEMEN1ALDH1A1FBP1
SCHEMBL12808 0.67 KMT2A (0.57) KMT2AACHEMEN1ALDH1A1FBP1
SCHEMBL3857787 0.66 PTGS2 (0.36) ALDH1A1TDP1MAPTKDM4ELMNA

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
US-4162258-A INTENSIFIERS FOR FLAVORS AND PERFUMES THE LION DENTIFRICE CO., LTD. (JP) 1979-07-24 US disclosed