SCHEMBL17733111

SCHEMBL17733111

O=S(=O)(Cl)c1cc(O)c2ccc3cccc4ccc1c2c34

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 4/20 0.38
▸ CTRC Q99895 2/20 0.38
▸ CYP1A2 P05177 3/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ CYP1A1 P04798 1/20 0.35

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
SCHEMBL9614361 0.88 ALDH1A1 (0.42) CYP1A2CA1CA2CA9ERBB2
SCHEMBL667035 0.86 MPL (0.33) MPLCA1CA2ALDH1A1HSD17B10
SCHEMBL2018837 0.85 MPL (0.51) MPLCTRCCYP1A2ERBB2FYN
SCHEMBL20138548 0.84 MPL (0.50) MPLCTRCCYP1A2ERBB2FYN
SCHEMBL16380316 0.83 MPL (0.33) MPLCYP1A2CA1CA2CA9
SCHEMBL1285825 0.79 ALDH1A1 (0.46) CYP1A2CA1CA2CA9ERBB2
SCHEMBL30672506 0.79 ALDH1A1 (0.46) CYP1A2CA1CA2CA9ERBB2
SCHEMBL29440260 0.78 ALDH1A1 (0.52) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL13736031 0.78 ALDH1A1 (0.52) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL29104759 0.77 ALDH1A1 (0.50) CYP1A2ERBB2FYNMAOAACHE

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-2181160-B1 HPTS-MONO CYS-MA POLYMERIZABLE FLUORESCENT DYES FOR USE IN ANALYTE SENSORS MEDTRONIC MINIMED INC (US) 2016-05-11 — — EP disclosed
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