SCHEMBL5316284

SCHEMBL5316284

Cc1sc2cccc(S)c2[n+]1C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GAA P10253 1/20 0.30
▸ HTT P42858 1/20 0.30

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
Iodide SCHEMBL9136386 0.98 KDM4E (0.49) KDM4EMAPTALDH1A1TDP1GAA
SCHEMBL316437 0.83 KDM4E (0.41) KDM4EMAPTALDH1A1TDP1GAA
SCHEMBL4625831 0.77 KDM4E (0.50) KDM4EMAPTALDH1A1TDP1GAA
Iodide SCHEMBL31063943 0.73 KDM4E (0.46) KDM4EMAPTALDH1A1TDP1GAA
SCHEMBL30411778 0.69 MAPT (0.52) KDM4EMAPTALDH1A1TDP1GAA
SCHEMBL839316 0.69 MAPT (0.52) KDM4EMAPTALDH1A1TDP1GAA
Hydrochloric Acid SCHEMBL4613932 0.67 MAPT (0.50) KDM4EMAPTALDH1A1TDP1GAA
Iodide SCHEMBL31147096 0.67 MAPT (0.55) KDM4EMAPTALDH1A1TDP1GAA
Bromide SCHEMBL4616453 0.67 MAPT (0.51) KDM4EMAPTALDH1A1TDP1GAA
Iodide SCHEMBL1318387 0.67 MAPT (0.55) KDM4EMAPTALDH1A1TDP1GAA

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
WO-2007100392-A2 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS BIOTIUM, INC. (US) 2007-09-07 — — WO disclosed
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