SCHEMBL13528771

SCHEMBL13528771

Cc1ccc(N2N=C(C(=O)O)/C(=C/C=C/C=C/c3c(C(=O)O)nn(-c4ccc(S(=O)(=O)O)cc4)c3O)C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 1/20 0.41
▸ ALDH1A1 P00352 8/20 0.38
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ KAT8 Q9H7Z6 2/20 0.38
▸ KMT2A Q03164 9/20 0.38
▸ MAPT P10636 6/20 0.38
▸ MEN1 O00255 6/20 0.38
▸ MAPK1 P28482 5/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CA4 P22748 1/20 0.34
▸ HTT P42858 3/20 0.33
▸ POLB P06746 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL6680138 0.96 TDP2 (0.43) TDP2ALDH1A1CA1CA2CA9
SCHEMBL10038347 0.96 TDP2 (0.43) TDP2ALDH1A1CA1CA2CA9
SCHEMBL6680130 0.96 TDP2 (0.43) TDP2ALDH1A1CA1CA2CA9
SCHEMBL6679289 0.96 TDP2 (0.43) TDP2ALDH1A1CA1CA2CA9
SCHEMBL6679279 0.96 TDP2 (0.43) TDP2ALDH1A1CA1CA2CA9
SCHEMBL9180471 0.93 TDP2 (0.45) TDP2ALDH1A1CA1CA2CA9
SCHEMBL3184820 0.93 TDP2 (0.45) TDP2ALDH1A1CA1CA2CA9
SCHEMBL7049522 0.93 TDP2 (0.45) TDP2ALDH1A1CA1CA2CA9
SCHEMBL6679067 0.93 TDP2 (0.45) TDP2ALDH1A1CA1CA2CA9
SCHEMBL14207867 0.93 TDP2 (0.45) TDP2ALDH1A1CA1CA2CA9

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-8409780-B2 Negative working, heat-sensitive lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2013-04-02 — — US disclosed
US-20100021846-A1 NEGATIVE WORKING, HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2010-01-28 — — US disclosed
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