SCHEMBL17202008

SCHEMBL17202008

O=[SH](=O)Oc1ccccc1I

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.35
FABP3 P05413 1/20 0.35
FABP5 Q01469 1/20 0.35
IDO1 P14902 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
MGLL Q99685 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
SCHEMBL17469707 0.82 CA1 (0.38) IDO1CA12CA1CA2CA4
SCHEMBL27478015 0.79 TYMS (0.31)
SCHEMBL14578683 0.71 CA1 (0.62) IDO1CA12CA1CA2CA4
SCHEMBL28136946 0.71 ALDH1A1 (0.50) CA12CA1CA2CA4CA7
SCHEMBL15570448 0.71 LMNA (0.47)
SCHEMBL27986003 0.71 TSHR (0.43) CA12CA1CA2CA4CA7
SCHEMBL3845701 0.71 CA12 (0.38) FABP7FABP3FABP5IDO1CA12
SCHEMBL22476072 0.71 TAAR1 (0.39) FABP7FABP3FABP5IDO1CA12
SCHEMBL13818921 0.70 INPPL1 (0.33)
Fluoride SCHEMBL27599027 0.70 TSHR (0.42) CA12CA1CA2CA4CA7

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-20150307930-A1 DETECTION METHOD FOR HYDROXYMETHYLATED CYTOSINE IN DNA AND REAGENT KIT FOR DETECTION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-10-29 US disclosed