SCHEMBL18538247

SCHEMBL18538247

Cc1ccc(S(=O)(=O)Nc2cc3c(O)c(c2)Cc2cc(S(=O)(=O)O)cc(c2O)Cc2cc(C)cc(c2O)Cc2cc(S(=O)(=O)O)cc(c2O)C3)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ING2 Q9H160 3/20 0.70
▸ ALDH1A1 P00352 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ DPP4 P27487 1/20 0.47
▸ KCNA1 Q09470 1/20 0.46
▸ KCNAB1 Q14722 1/20 0.46
▸ CYTH2 Q99418 2/20 0.46
▸ FFAR4 Q5NUL3 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46

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
SCHEMBL18538283 0.91 ING2 (0.68) ING2ALDH1A1MAPTHTTMEN1
SCHEMBL19817553 0.89 ING2 (0.89) ING2MAPTMEN1GAAKMT2A
SCHEMBL19817546 0.89 ING2 (0.89) ING2MAPTMEN1GAAKMT2A
SCHEMBL18538314 0.85 ING2 (0.67) ING2ALDH1A1MAPTHTTMEN1
SCHEMBL19818223 0.82 ING2 (1.00) ING2MAPTMEN1GAAKMT2A
SCHEMBL22828087 0.82 ING2 (0.81) ING2ALDH1A1MAPTGAAKMT2A
SCHEMBL18538249 0.80 ING2 (0.73) ING2ALDH1A1MAPTHTTMEN1
SCHEMBL18538273 0.80 ING2 (0.74) ING2ALDH1A1MAPTHTTMEN1
SCHEMBL18538312 0.80 ING2 (0.62) ING2MAPTMEN1GAAKMT2A
SCHEMBL19762894 0.78 ING2 (0.68) ING2ALDH1A1MAPTMEN1USP2

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-20170052154-A1 COMPOUNDS AND CONJUGATES FOR IDENTIFYING AND SEPARATING POST-TRANSLATIONALLY MODIFIED ANALYTES UVIC INDUSTRY PARTNERSHIPS INC. (CA) 2017-02-23 — — US disclosed
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