SCHEMBL6834951

SCHEMBL6834951

COc1cc(N=Nc2cc(C(=O)O)cc(C(=O)O)c2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA4 P22748 2/20 0.47
▸ CA6 P23280 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA14 Q9ULX7 2/20 0.47
▸ CA3 P07451 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ CA5A P35218 1/20 0.47
▸ CA5B Q9Y2D0 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ PTGS2 P35354 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TPMT P51580 2/20 0.42

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
SCHEMBL9179615 0.89 CCNE2 (0.49) CA12CA1CA2CA4CA6
SCHEMBL9179620 0.89 CCNE2 (0.49) CA12CA1CA2CA4CA6
SCHEMBL5720649 0.82 ALDH1A1 (0.59) PKMGAAMAPTPTGS2MEN1
SCHEMBL5720651 0.82 ALDH1A1 (0.59) PKMGAAMAPTPTGS2MEN1
SCHEMBL4537233 0.78 MEN1 (0.56) PKMGAAMAPTPTGS2MEN1
SCHEMBL30287633 0.78 MEN1 (0.56) PKMGAAMAPTPTGS2MEN1
SCHEMBL4537236 0.78 MEN1 (0.56) PKMGAAMAPTPTGS2MEN1
SCHEMBL72751 0.77 CA12 (0.69) CA12CA1CA2CA4CA6
SCHEMBL7162814 0.76 CA1 (0.58) CA12CA1CA2CA4CA6
SCHEMBL5720576 0.76 MEN1 (0.52) CA12CA2CA9PKMGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6749674-B2 USEFUL IN RECORDING FLUIDS ESPECIALLY INK JET PRINTING PROCESSES, AND ALSO AS COLORANTS FOR ELECTROPHOTOGRAPHIC TONERS, POWDER COATINGS AND COLOR FILTERS; IMPROVED SOLUBILITY, COLORFASTNESS AND STORAGE STABILITY CLARIANT GMBH (DE) 2004-06-15 — — US disclosed
US-20010027734-A1 Black trisazo metal complex dyes CLARIANT GMBH 2001-10-11 — — US disclosed
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